(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde

C15H16O2 — CID 102406673

IUPAC(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
SMILESCC1=C(C=O)[C@@H](c2ccccc2)[C@H](C=O)CC1
InChIInChI=1S/C15H16O2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3/t13-,15-/m0/s1
InChIKeyKCOFUOWDQJOOEG-ZFWWWQNUSA-N
MW228.29 g/mol
LogP2.89
Rot. Bonds3

About (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde

(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde (PubChem CID 102406673) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
PubChem CID102406673
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
SMILESCC1=C(C=O)[C@@H](c2ccccc2)[C@H](C=O)CC1
InChIInChI=1S/C15H16O2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3/t13-,15-/m0/s1
InChIKeyKCOFUOWDQJOOEG-ZFWWWQNUSA-N
XLogP2.89
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,2R)-2-(4-bromophenyl)-4-methylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406675
(4R,5R,8aS,8bS)-3,6-dimethyl-4,5-diphenyl-1,2,4,5,7,8,8a,8b-octahydro-as-indacene
CID 164665856
1-[(1R,2S)-3-(2,2-diphenylethenyl)-4-methyl-2-phenylcyclohex-3-en-1-yl]ethanone
CID 25270693
5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
cis-(2S,3S)-3-tert-butyl-2-phenylcyclobutan-1-one
CID 101134635
2-phenylpiperidine-3-carbaldehyde
CID 174613861
(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
CID 101450400
(5R)-2-methyl-5-[(2S)-1-oxopropan-2-yl]cyclopentene-1-carbaldehyde
CID 11019224
4-nitroso-5-phenyloxolane-3-carbaldehyde
CID 10262354
2-bromo-5-phenylcyclohexene-1-carbaldehyde
CID 102027984
benzene;cyclopropylbenzene
CID 144638417
1-[(4-methoxyphenyl)methyl]-5-oxo-4-phenylpyrrolidine-3-carbaldehyde
CID 138523430

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde?
The IUPAC name of (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde (CID 102406673) is (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde.
What is the SMILES notation for (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde?
The canonical SMILES for (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde is CC1=C(C=O)[C@@H](c2ccccc2)[C@H](C=O)CC1.
What is the InChIKey of (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde?
The InChIKey is KCOFUOWDQJOOEG-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H16O2/c1-11-7-8-13(9-16)15(14(11)10-17)12-5-3-2-4-6-12/h2-6,9-10,13,15H,7-8H2,1H3/t13-,15-/m0/s1.
What are the key properties of (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde?
(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde has a molecular weight of 228.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde is sourced from PubChem (CID 102406673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).