[1-(4-methoxybenzoyl)cyclohexyl] formate

C15H18O4 — CID 87509300

IUPAC[1-(4-methoxybenzoyl)cyclohexyl] formate
SMILESCOc1ccc(C(=O)C2(OC=O)CCCCC2)cc1
InChIInChI=1S/C15H18O4/c1-18-13-7-5-12(6-8-13)14(17)15(19-11-16)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3
InChIKeyWDTPXUGRNZRVNK-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.75
Rot. Bonds5

About [1-(4-methoxybenzoyl)cyclohexyl] formate

[1-(4-methoxybenzoyl)cyclohexyl] formate (PubChem CID 87509300) has the molecular formula C15H18O4 and a molecular weight of 262.31 g/mol. Its IUPAC name is [1-(4-methoxybenzoyl)cyclohexyl] formate.

Molecular Properties

Compound Name[1-(4-methoxybenzoyl)cyclohexyl] formate
PubChem CID87509300
Molecular FormulaC15H18O4
Molecular Weight262.31 g/mol
Exact Mass262.12
IUPAC Name[1-(4-methoxybenzoyl)cyclohexyl] formate
SMILESCOc1ccc(C(=O)C2(OC=O)CCCCC2)cc1
InChIInChI=1S/C15H18O4/c1-18-13-7-5-12(6-8-13)14(17)15(19-11-16)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3
InChIKeyWDTPXUGRNZRVNK-UHFFFAOYSA-N
XLogP2.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1-methoxycyclohexyl)-naphthalen-2-ylmethanone
CID 116747974
(1-methoxycycloheptyl)-naphthalen-2-ylmethanone
CID 116750403
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
(1-methoxycyclopentyl)-(4-methylphenyl)methanone
CID 104610071
1-(4-methoxybenzoyl)cyclobutane-1-carbonitrile
CID 116921475
(4-tert-butylphenyl)-(1-methoxycyclohexyl)methanone
CID 116748095
(1-ethoxycyclohexyl)-(4-methylphenyl)methanone
CID 116748478
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
(4-tert-butylphenyl)-(1-methoxycyclobutyl)methanone
CID 116706927
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
(1-ethoxycyclohexyl)-(4-ethylphenyl)methanone
CID 116748429
anisole;(1-hydroxycyclohexyl)-phenylmethanone;propanal
CID 175329205

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxybenzoyl)cyclohexyl] formate?
The IUPAC name of [1-(4-methoxybenzoyl)cyclohexyl] formate (CID 87509300) is [1-(4-methoxybenzoyl)cyclohexyl] formate.
What is the SMILES notation for [1-(4-methoxybenzoyl)cyclohexyl] formate?
The canonical SMILES for [1-(4-methoxybenzoyl)cyclohexyl] formate is COc1ccc(C(=O)C2(OC=O)CCCCC2)cc1.
What is the InChIKey of [1-(4-methoxybenzoyl)cyclohexyl] formate?
The InChIKey is WDTPXUGRNZRVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-18-13-7-5-12(6-8-13)14(17)15(19-11-16)9-3-2-4-10-15/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of [1-(4-methoxybenzoyl)cyclohexyl] formate?
[1-(4-methoxybenzoyl)cyclohexyl] formate has a molecular weight of 262.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxybenzoyl)cyclohexyl] formate is sourced from PubChem (CID 87509300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).