2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol

C19H18O2 — CID 15617864

IUPAC2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol
SMILESCCOc1ccc(Cc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-12,20H,2,13H2,1H3
InChIKeyYYFKPFDHALEREI-UHFFFAOYSA-N
MW278.35 g/mol
LogP4.53
Rot. Bonds4

About 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol

2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol (PubChem CID 15617864) has the molecular formula C19H18O2 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol
PubChem CID15617864
Molecular FormulaC19H18O2
Molecular Weight278.35 g/mol
Exact Mass278.13
IUPAC Name2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol
SMILESCCOc1ccc(Cc2ccc3ccccc3c2O)cc1
InChIInChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-12,20H,2,13H2,1H3
InChIKeyYYFKPFDHALEREI-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
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-[(4-ethoxyphenyl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol (CID 15617864) is 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol is CCOc1ccc(Cc2ccc3ccccc3c2O)cc1.
What is the InChIKey of 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol?
The InChIKey is YYFKPFDHALEREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O2/c1-2-21-17-11-7-14(8-12-17)13-16-10-9-15-5-3-4-6-18(15)19(16)20/h3-12,20H,2,13H2,1H3.
What are the key properties of 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol?
2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol has a molecular weight of 278.35 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethoxyphenyl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).