6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol

C20H20O3 — CID 22145465

IUPAC6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccc(OC(C)C)cc3)ccc2c1
InChIInChI=1S/C20H20O3/c1-13(2)23-16-7-4-14(5-8-16)18-10-6-15-12-17(22-3)9-11-19(15)20(18)21/h4-13,21H,1-3H3
InChIKeyZWTFGQRODXNKFU-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.01
Rot. Bonds4

About 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol

6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol (PubChem CID 22145465) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol.

Molecular Properties

Compound Name6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol
PubChem CID22145465
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol
SMILESCOc1ccc2c(O)c(-c3ccc(OC(C)C)cc3)ccc2c1
InChIInChI=1S/C20H20O3/c1-13(2)23-16-7-4-14(5-8-16)18-10-6-15-12-17(22-3)9-11-19(15)20(18)21/h4-13,21H,1-3H3
InChIKeyZWTFGQRODXNKFU-UHFFFAOYSA-N
XLogP5.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-propan-2-yloxyphenyl)naphthalene-1,6-diol
CID 22145462
5-methoxy-2-(4-methoxyphenyl)phenol
CID 10933283
6-methoxy-1-propan-2-yloxynaphthalene-2-carboxylic acid
CID 14256753
7,20-dimethoxyhexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411039
ethane;6-methoxy-3-(4-propan-2-yloxyphenyl)-2H-isoquinolin-1-one
CID 144609811
2-[4-[2-(4-hydroxyphenyl)-6-methoxynaphthalen-1-yl]oxyphenyl]propanoic acid
CID 67603232
2,6-dimethoxy-1-(4-methoxyphenyl)naphthalene
CID 139203574
1-(2-hydroxy-6-propan-2-yloxynaphthalen-1-yl)-4-methoxy-7-propan-2-yloxyphenanthren-2-ol
CID 177471774
7-methoxy-2-(4-methoxyphenyl)-4-(2-methylprop-2-enyl)-3-propan-2-yloxynaphthalen-1-ol
CID 10739273
4-chloro-7-methoxy-2-(4-propan-2-yloxyphenyl)quinoline
CID 70978267
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1,3,6,8-tetrakis(4-methoxyphenyl)pyrene-2,7-diol
CID 163210794

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol?
The IUPAC name of 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol (CID 22145465) is 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol.
What is the SMILES notation for 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol?
The canonical SMILES for 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol is COc1ccc2c(O)c(-c3ccc(OC(C)C)cc3)ccc2c1.
What is the InChIKey of 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol?
The InChIKey is ZWTFGQRODXNKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-13(2)23-16-7-4-14(5-8-16)18-10-6-15-12-17(22-3)9-11-19(15)20(18)21/h4-13,21H,1-3H3.
What are the key properties of 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol?
6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol has a molecular weight of 308.38 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(4-propan-2-yloxyphenyl)naphthalen-1-ol is sourced from PubChem (CID 22145465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).