2-methoxy-5-(4-methylnaphthalen-1-yl)phenol

C18H16O2 — CID 53405298

IUPAC2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
SMILESCOc1ccc(-c2ccc(C)c3ccccc23)cc1O
InChIInChI=1S/C18H16O2/c1-12-7-9-15(16-6-4-3-5-14(12)16)13-8-10-18(20-2)17(19)11-13/h3-11,19H,1-2H3
InChIKeyCIFXACOQBIPEMY-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.53
Rot. Bonds2

About 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol

2-methoxy-5-(4-methylnaphthalen-1-yl)phenol (PubChem CID 53405298) has the molecular formula C18H16O2 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol.

Molecular Properties

Compound Name2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
PubChem CID53405298
Molecular FormulaC18H16O2
Molecular Weight264.32 g/mol
Exact Mass264.12
IUPAC Name2-methoxy-5-(4-methylnaphthalen-1-yl)phenol
SMILESCOc1ccc(-c2ccc(C)c3ccccc23)cc1O
InChIInChI=1S/C18H16O2/c1-12-7-9-15(16-6-4-3-5-14(12)16)13-8-10-18(20-2)17(19)11-13/h3-11,19H,1-2H3
InChIKeyCIFXACOQBIPEMY-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol?
The IUPAC name of 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol (CID 53405298) is 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol.
What is the SMILES notation for 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol?
The canonical SMILES for 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol is COc1ccc(-c2ccc(C)c3ccccc23)cc1O.
What is the InChIKey of 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol?
The InChIKey is CIFXACOQBIPEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O2/c1-12-7-9-15(16-6-4-3-5-14(12)16)13-8-10-18(20-2)17(19)11-13/h3-11,19H,1-2H3.
What are the key properties of 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol?
2-methoxy-5-(4-methylnaphthalen-1-yl)phenol has a molecular weight of 264.32 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylnaphthalen-1-yl)phenol is sourced from PubChem (CID 53405298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).