4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol

C34H42O4 — CID 89072606

IUPAC4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol
SMILESCCC(C)(CC)c1c(O)c(OC)c(-c2c(OC)c(O)c(C(C)(CC)CC)c3ccccc23)c2ccccc12
InChIInChI=1S/C34H42O4/c1-9-33(5,10-2)27-23-19-15-13-17-21(23)25(31(37-7)29(27)35)26-22-18-14-16-20-24(22)28(30(36)32(26)38-8)34(6,11-3)12-4/h13-20,35-36H,9-12H2,1-8H3
InChIKeyHWTHIPQMGJLJKY-UHFFFAOYSA-N
MW514.71 g/mol
LogP9.24
Rot. Bonds9

About 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol

4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol (PubChem CID 89072606) has the molecular formula C34H42O4 and a molecular weight of 514.71 g/mol. Its IUPAC name is 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol.

Molecular Properties

Compound Name4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol
PubChem CID89072606
Molecular FormulaC34H42O4
Molecular Weight514.71 g/mol
Exact Mass514.31
IUPAC Name4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol
SMILESCCC(C)(CC)c1c(O)c(OC)c(-c2c(OC)c(O)c(C(C)(CC)CC)c3ccccc23)c2ccccc12
InChIInChI=1S/C34H42O4/c1-9-33(5,10-2)27-23-19-15-13-17-21(23)25(31(37-7)29(27)35)26-22-18-14-16-20-24(22)28(30(36)32(26)38-8)34(6,11-3)12-4/h13-20,35-36H,9-12H2,1-8H3
InChIKeyHWTHIPQMGJLJKY-UHFFFAOYSA-N
XLogP9.24
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.71
LogP ≤ 59.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-hydroxynaphthalen-1-yl)propan-2-yl]naphthalen-2-ol
CID 13354439
4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-1-[4-[4-[4-[4-[4-[4-[2,3-dimethoxy-4-(2-methoxy-3-phenylmethoxynaphthalen-1-yl)naphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2-hydroxy-3-methoxynaphthalen-1-yl]-3-methoxynaphthalen-2-ol
CID 101274377
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CID 142405279
6,11-bis(2,6-dimethoxyphenyl)tetracene-5,12-diol
CID 132568978
3-chloro-4-methoxynaphthalene-1,2-diol
CID 13478728
2-(3-methylpentan-3-yl)triphenylene
CID 143326893
1-(3,4,5-trimethoxyphenyl)naphthalen-2-ol
CID 102188168
2-[2-[1,4-dihydroxy-3-(2-methoxypropan-2-yl)naphthalen-2-yl]ethynyl]-3-ethylnaphthalene-1,4-diol
CID 90803129
2-tert-butyl-1-methoxynaphthalene
CID 169287795
2-(2-methoxy-3,4,5,6-tetramethylphenyl)phenol
CID 21315494
9-bromo-10-(10-methoxyanthracen-9-yl)anthracene
CID 141476648
ethane;3-methylpentan-3-ylbenzene
CID 90745317

Frequently Asked Questions

What is the IUPAC name of 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol?
The IUPAC name of 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol (CID 89072606) is 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol.
What is the SMILES notation for 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol?
The canonical SMILES for 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol is CCC(C)(CC)c1c(O)c(OC)c(-c2c(OC)c(O)c(C(C)(CC)CC)c3ccccc23)c2ccccc12.
What is the InChIKey of 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol?
The InChIKey is HWTHIPQMGJLJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O4/c1-9-33(5,10-2)27-23-19-15-13-17-21(23)25(31(37-7)29(27)35)26-22-18-14-16-20-24(22)28(30(36)32(26)38-8)34(6,11-3)12-4/h13-20,35-36H,9-12H2,1-8H3.
What are the key properties of 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol?
4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol has a molecular weight of 514.71 g/mol, XLogP of 9.24, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-hydroxy-2-methoxy-4-(3-methylpentan-3-yl)naphthalen-1-yl]-3-methoxy-1-(3-methylpentan-3-yl)naphthalen-2-ol is sourced from PubChem (CID 89072606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).