(2-methyl-3-naphthalen-1-ylphenyl)methyl formate

C19H16O2 — CID 174343361

IUPAC(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
SMILESCc1c(COC=O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c1-14-16(12-21-13-20)8-5-10-17(14)19-11-4-7-15-6-2-3-9-18(15)19/h2-11,13H,12H2,1H3
InChIKeyROWZCFBKDMNRER-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.49
Rot. Bonds4

About (2-methyl-3-naphthalen-1-ylphenyl)methyl formate

(2-methyl-3-naphthalen-1-ylphenyl)methyl formate (PubChem CID 174343361) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2-methyl-3-naphthalen-1-ylphenyl)methyl formate.

Molecular Properties

Compound Name(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
PubChem CID174343361
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name(2-methyl-3-naphthalen-1-ylphenyl)methyl formate
SMILESCc1c(COC=O)cccc1-c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c1-14-16(12-21-13-20)8-5-10-17(14)19-11-4-7-15-6-2-3-9-18(15)19/h2-11,13H,12H2,1H3
InChIKeyROWZCFBKDMNRER-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-naphthalen-1-ylphenyl)methyl formate?
The IUPAC name of (2-methyl-3-naphthalen-1-ylphenyl)methyl formate (CID 174343361) is (2-methyl-3-naphthalen-1-ylphenyl)methyl formate.
What is the SMILES notation for (2-methyl-3-naphthalen-1-ylphenyl)methyl formate?
The canonical SMILES for (2-methyl-3-naphthalen-1-ylphenyl)methyl formate is Cc1c(COC=O)cccc1-c1cccc2ccccc12.
What is the InChIKey of (2-methyl-3-naphthalen-1-ylphenyl)methyl formate?
The InChIKey is ROWZCFBKDMNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14-16(12-21-13-20)8-5-10-17(14)19-11-4-7-15-6-2-3-9-18(15)19/h2-11,13H,12H2,1H3.
What are the key properties of (2-methyl-3-naphthalen-1-ylphenyl)methyl formate?
(2-methyl-3-naphthalen-1-ylphenyl)methyl formate has a molecular weight of 276.33 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-naphthalen-1-ylphenyl)methyl formate is sourced from PubChem (CID 174343361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).