6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene

C29H26O2 — CID 158113747

IUPAC6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
SMILESCc1ccc2cc(O)ccc2c1.Cc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C18H16O.C11H10O/c1-14-7-8-17-12-18(10-9-16(17)11-14)19-13-15-5-3-2-4-6-15;1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-12H,13H2,1H3;2-7,12H,1H3
InChIKeyFQTDLPWVSJKTEX-UHFFFAOYSA-N
MW406.53 g/mol
LogP7.58
Rot. Bonds3

About 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene

6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene (PubChem CID 158113747) has the molecular formula C29H26O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene.

Molecular Properties

Compound Name6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
PubChem CID158113747
Molecular FormulaC29H26O2
Molecular Weight406.53 g/mol
Exact Mass406.19
IUPAC Name6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene
SMILESCc1ccc2cc(O)ccc2c1.Cc1ccc2cc(OCc3ccccc3)ccc2c1
InChIInChI=1S/C18H16O.C11H10O/c1-14-7-8-17-12-18(10-9-16(17)11-14)19-13-15-5-3-2-4-6-15;1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-12H,13H2,1H3;2-7,12H,1H3
InChIKeyFQTDLPWVSJKTEX-UHFFFAOYSA-N
XLogP7.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7-phenylmethoxynaphthalene
CID 90146760
7-[(3,5-dimethylphenyl)methoxy]naphthalen-2-ol
CID 63549894
7-methoxy-8-(2-methoxy-7-phenylmethoxynaphthalen-1-yl)naphthalen-2-ol
CID 15626894
3-[(3-methylphenyl)methoxy]phenol
CID 39243397
CID 159499865
CID 159499865
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
2-methyl-6-phenylmethoxyquinoline
CID 82580854
(6-methyl-1H-indol-2-yl)-(5-phenylmethoxy-1H-indol-2-yl)methanone
CID 11625102
7-phenylmethoxyquinoline;quinolin-7-ol
CID 160975104
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
2-bromo-6-phenylmethoxynaphthalene
CID 640595
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877

Frequently Asked Questions

What is the IUPAC name of 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene?
The IUPAC name of 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene (CID 158113747) is 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene.
What is the SMILES notation for 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene?
The canonical SMILES for 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene is Cc1ccc2cc(O)ccc2c1.Cc1ccc2cc(OCc3ccccc3)ccc2c1.
What is the InChIKey of 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene?
The InChIKey is FQTDLPWVSJKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O.C11H10O/c1-14-7-8-17-12-18(10-9-16(17)11-14)19-13-15-5-3-2-4-6-15;1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-12H,13H2,1H3;2-7,12H,1H3.
What are the key properties of 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene?
6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene has a molecular weight of 406.53 g/mol, XLogP of 7.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylnaphthalen-2-ol;2-methyl-6-phenylmethoxynaphthalene is sourced from PubChem (CID 158113747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).