(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal

C18H24O2 — CID 19612810

IUPAC(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal
SMILESCCc1ccc(COC2CCC(/C=C/C=O)CC2)cc1
InChIInChI=1S/C18H24O2/c1-2-15-5-7-17(8-6-15)14-20-18-11-9-16(10-12-18)4-3-13-19/h3-8,13,16,18H,2,9-12,14H2,1H3/b4-3+
InChIKeySBKCVSMEZNMNAX-ONEGZZNKSA-N
MW272.39 g/mol
LogP4.08
Rot. Bonds6

About (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal

(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal (PubChem CID 19612810) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal.

Molecular Properties

Compound Name(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal
PubChem CID19612810
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal
SMILESCCc1ccc(COC2CCC(/C=C/C=O)CC2)cc1
InChIInChI=1S/C18H24O2/c1-2-15-5-7-17(8-6-15)14-20-18-11-9-16(10-12-18)4-3-13-19/h3-8,13,16,18H,2,9-12,14H2,1H3/b4-3+
InChIKeySBKCVSMEZNMNAX-ONEGZZNKSA-N
XLogP4.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal?
The IUPAC name of (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal (CID 19612810) is (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal.
What is the SMILES notation for (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal?
The canonical SMILES for (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal is CCc1ccc(COC2CCC(/C=C/C=O)CC2)cc1.
What is the InChIKey of (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal?
The InChIKey is SBKCVSMEZNMNAX-ONEGZZNKSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-15-5-7-17(8-6-15)14-20-18-11-9-16(10-12-18)4-3-13-19/h3-8,13,16,18H,2,9-12,14H2,1H3/b4-3+.
What are the key properties of (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal?
(E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal has a molecular weight of 272.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[(4-ethylphenyl)methoxy]cyclohexyl]prop-2-enal is sourced from PubChem (CID 19612810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).