2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

C18H24O2 — CID 174815775

IUPAC2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)C1CC=C(C=O)CC1.OCCc1ccccc1
InChIInChI=1S/C10H14O.C8H10O/c1-8(2)10-5-3-9(7-11)4-6-10;9-7-6-8-4-2-1-3-5-8/h3,7,10H,1,4-6H2,2H3;1-5,9H,6-7H2
InChIKeyBSDDHXJWWJBZJR-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.71
Rot. Bonds4

About 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde

2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (PubChem CID 174815775) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.

Molecular Properties

Compound Name2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
PubChem CID174815775
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
SMILESC=C(C)C1CC=C(C=O)CC1.OCCc1ccccc1
InChIInChI=1S/C10H14O.C8H10O/c1-8(2)10-5-3-9(7-11)4-6-10;9-7-6-8-4-2-1-3-5-8/h3,7,10H,1,4-6H2,2H3;1-5,9H,6-7H2
InChIKeyBSDDHXJWWJBZJR-UHFFFAOYSA-N
XLogP3.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
formaldehyde;2-phenylethanol
CID 143785167
10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-diene-4-carbaldehyde
CID 75033991
2-hydroxy-N-[(E)-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methylideneamino]benzamide
CID 44507631
3-[(4R)-4-prop-1-en-2-ylcyclohexen-1-yl]propanoic acid
CID 10583976
(E)-N-methoxy-1-[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanimine
CID 118711638
methyl (2S)-3-(dibenzylamino)-2-phenyl-2-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methoxy]propanoate
CID 138964508
(E)-N-iodo-3-phenyl-N-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]prop-2-en-1-amine
CID 130380264
2-phenylethanol;propanoic acid
CID 70495468
2-methyl-4-(4-prop-1-en-2-ylcyclohexen-1-yl)butan-2-ol
CID 141352252
1-(methylsulfanylmethyl)-4-prop-1-en-2-ylcyclohexene
CID 71343459
butane-2,3-diol;2-phenylethanol
CID 175116943

Frequently Asked Questions

What is the IUPAC name of 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The IUPAC name of 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde (CID 174815775) is 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde.
What is the SMILES notation for 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The canonical SMILES for 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is C=C(C)C1CC=C(C=O)CC1.OCCc1ccccc1.
What is the InChIKey of 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
The InChIKey is BSDDHXJWWJBZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O.C8H10O/c1-8(2)10-5-3-9(7-11)4-6-10;9-7-6-8-4-2-1-3-5-8/h3,7,10H,1,4-6H2,2H3;1-5,9H,6-7H2.
What are the key properties of 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde?
2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde has a molecular weight of 272.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethanol;4-prop-1-en-2-ylcyclohexene-1-carbaldehyde is sourced from PubChem (CID 174815775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).