1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol

C21H30O2 — CID 10519354

IUPAC1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol
SMILESCOc1cc2c(CCC(O)C(C)C)c(C)ccc2cc1C(C)C
InChIInChI=1S/C21H30O2/c1-13(2)18-11-16-8-7-15(5)17(9-10-20(22)14(3)4)19(16)12-21(18)23-6/h7-8,11-14,20,22H,9-10H2,1-6H3
InChIKeyVXLVYQBUGQKHHZ-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.23
Rot. Bonds6

About 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol

1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol (PubChem CID 10519354) has the molecular formula C21H30O2 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol
PubChem CID10519354
Molecular FormulaC21H30O2
Molecular Weight314.47 g/mol
Exact Mass314.22
IUPAC Name1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol
SMILESCOc1cc2c(CCC(O)C(C)C)c(C)ccc2cc1C(C)C
InChIInChI=1S/C21H30O2/c1-13(2)18-11-16-8-7-15(5)17(9-10-20(22)14(3)4)19(16)12-21(18)23-6/h7-8,11-14,20,22H,9-10H2,1-6H3
InChIKeyVXLVYQBUGQKHHZ-UHFFFAOYSA-N
XLogP5.23
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-methoxy-3-propan-2-ylphenyl)pentane-2,3-diol
CID 83926893
5-(2-methoxy-6-methylphenyl)pentane-2,3-diol
CID 83923964
1-ethyl-7-methoxy-6-propan-2-ylnaphthalene
CID 14828144
3,6-dimethoxy-2-propan-2-ylnaphthalene
CID 71390395
6-methoxy-1-methyl-7-propan-2-yl-3,4-dihydrophenanthrene
CID 14828178
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-sulfanylethanol
CID 116829986
ethyl 2-(2,4-dimethoxy-5-propan-2-ylphenyl)-2-hydroxyacetate
CID 117453752
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonic acid
CID 82478576
1-methoxy-4-(4-methylpentyl)-2-propan-2-ylbenzene
CID 163377100
(4-methoxy-2-methyl-5-propan-2-ylphenyl)-(methylamino)methanol
CID 116954652
1-(4-methoxy-3-methylphenyl)-2-(3-methylbutylamino)propan-1-ol
CID 82313799
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol?
The IUPAC name of 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol (CID 10519354) is 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol.
What is the SMILES notation for 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol?
The canonical SMILES for 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol is COc1cc2c(CCC(O)C(C)C)c(C)ccc2cc1C(C)C.
What is the InChIKey of 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol?
The InChIKey is VXLVYQBUGQKHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O2/c1-13(2)18-11-16-8-7-15(5)17(9-10-20(22)14(3)4)19(16)12-21(18)23-6/h7-8,11-14,20,22H,9-10H2,1-6H3.
What are the key properties of 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol?
1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol has a molecular weight of 314.47 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-2-methyl-6-propan-2-ylnaphthalen-1-yl)-4-methylpentan-3-ol is sourced from PubChem (CID 10519354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).