(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one

C19H26O2 — CID 68643101

IUPAC(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one
SMILESCCCCCCOc1ccccc1/C=C1\CCCCC1=O
InChIInChI=1S/C19H26O2/c1-2-3-4-9-14-21-19-13-8-6-11-17(19)15-16-10-5-7-12-18(16)20/h6,8,11,13,15H,2-5,7,9-10,12,14H2,1H3/b16-15+
InChIKeyGVTPMSIKWAALEF-FOCLMDBBSA-N
MW286.41 g/mol
LogP5.17
Rot. Bonds7

About (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one

(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one (PubChem CID 68643101) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one
PubChem CID68643101
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one
SMILESCCCCCCOc1ccccc1/C=C1\CCCCC1=O
InChIInChI=1S/C19H26O2/c1-2-3-4-9-14-21-19-13-8-6-11-17(19)15-16-10-5-7-12-18(16)20/h6,8,11,13,15H,2-5,7,9-10,12,14H2,1H3/b16-15+
InChIKeyGVTPMSIKWAALEF-FOCLMDBBSA-N
XLogP5.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.41
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-butylphenyl)methylidene]cyclohexan-1-one
CID 68642804
2-[(2-propan-2-yloxyphenyl)methylidene]cyclohexan-1-one
CID 68643041
1-ethenyl-2-heptadecoxybenzene
CID 139672731
(5Z)-5-[(2-heptoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 44665705
2-[(3-butoxyphenyl)methylidene]cyclohexan-1-one
CID 68643107
2-[(4-hexylphenyl)methylidene]cyclohexan-1-one
CID 68643084
2-octadecoxycyclohepta-2,4,6-trien-1-one
CID 102106864
(2-pentoxyphenyl) formate
CID 173195289
(NZ)-N-[(2-heptoxyphenyl)methylidene]hydroxylamine
CID 112720770
1-ethyl-2-heptoxybenzene
CID 22723794
(4Z)-4-[(2-heptoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5285236
3-(2-undecoxyphenyl)prop-2-enoic acid
CID 139730297

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one (CID 68643101) is (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one is CCCCCCOc1ccccc1/C=C1\CCCCC1=O.
What is the InChIKey of (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one?
The InChIKey is GVTPMSIKWAALEF-FOCLMDBBSA-N. The full InChI is InChI=1S/C19H26O2/c1-2-3-4-9-14-21-19-13-8-6-11-17(19)15-16-10-5-7-12-18(16)20/h6,8,11,13,15H,2-5,7,9-10,12,14H2,1H3/b16-15+.
What are the key properties of (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one?
(2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one has a molecular weight of 286.41 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(2-hexoxyphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 68643101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).