4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol

C19H18O4 — CID 13468257

IUPAC4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
SMILESCOc1ccc(O)c2ccc(OCc3ccccc3)c(OC)c12
InChIInChI=1S/C19H18O4/c1-21-16-11-9-15(20)14-8-10-17(19(22-2)18(14)16)23-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3
InChIKeyUJEWHONFYXEZGQ-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.14
Rot. Bonds5

About 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol

4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol (PubChem CID 13468257) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol.

Molecular Properties

Compound Name4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
PubChem CID13468257
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol
SMILESCOc1ccc(O)c2ccc(OCc3ccccc3)c(OC)c12
InChIInChI=1S/C19H18O4/c1-21-16-11-9-15(20)14-8-10-17(19(22-2)18(14)16)23-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3
InChIKeyUJEWHONFYXEZGQ-UHFFFAOYSA-N
XLogP4.14
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(2,6-dimethoxy-3-phenylmethoxyphenyl)methanamine;hydrochloride
CID 69114272
[3-(3-borono-6-methoxy-2-phenylmethoxyphenyl)-4-methoxy-2-phenylmethoxyphenyl]boronic acid
CID 132839010
5,8-bis(phenylmethoxy)naphthalen-2-ol
CID 139679004
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
2-methoxy-4-(3-methyl-4-phenylmethoxyphenyl)phenol
CID 145389555
2,3-dimethoxy-5-(2-phenylmethoxyphenyl)phenol
CID 135026155
2-phenylmethoxybenzene-1,3-diol
CID 15652625
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
5-hydroxy-8-phenylmethoxy-1H-quinolin-2-one
CID 10400769
2-bromo-3-methyl-4-phenylmethoxyphenol
CID 150350676
3-hydroxy-4-methoxy-5-phenylmethoxybenzaldehyde
CID 45257691

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol?
The IUPAC name of 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol (CID 13468257) is 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol.
What is the SMILES notation for 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol?
The canonical SMILES for 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol is COc1ccc(O)c2ccc(OCc3ccccc3)c(OC)c12.
What is the InChIKey of 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol?
The InChIKey is UJEWHONFYXEZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-21-16-11-9-15(20)14-8-10-17(19(22-2)18(14)16)23-12-13-6-4-3-5-7-13/h3-11,20H,12H2,1-2H3.
What are the key properties of 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol?
4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol has a molecular weight of 310.35 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-6-phenylmethoxynaphthalen-1-ol is sourced from PubChem (CID 13468257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).