(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde

C14H14O — CID 101450400

IUPAC(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H14O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3/t14-/m1/s1
InChIKeyCWURJFZJIAPJTH-CQSZACIVSA-N
MW198.26 g/mol
LogP3.25
Rot. Bonds2

About (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde

(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 101450400) has the molecular formula C14H14O and a molecular weight of 198.26 g/mol. Its IUPAC name is (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID101450400
Molecular FormulaC14H14O
Molecular Weight198.26 g/mol
Exact Mass198.10
IUPAC Name(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1=CC=C(C=O)[C@@H](c2ccccc2)C1
InChIInChI=1S/C14H14O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3/t14-/m1/s1
InChIKeyCWURJFZJIAPJTH-CQSZACIVSA-N
XLogP3.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-diphenylcyclohexa-1,3-diene-1-carbaldehyde
CID 24859121
6-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859969
(1R)-4-ethyl-6-methyl-1-phenyl-3-[(Z)-prop-1-enyl]-1,2,4a,5-tetrahydronaphthalene
CID 143477595
(3R)-3-phenyl-3,4-dihydrodibenzofuran-2-carbaldehyde
CID 132546751
6-[4-(dimethylamino)phenyl]-4-(1H-indol-3-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859407
(5R,6R)-4-methyl-5-pentyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde
CID 44586777
(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406673
tert-butyl 3-formyl-2-phenyl-1,2-dihydrocarbazole-9-carboxylate
CID 135034622
4-(5-chlorothiophen-2-yl)-6-[4-(dimethylamino)phenyl]cyclohexa-1,3-diene-1-carbaldehyde
CID 44586963
1,4-dimethyl-5-phenyl-2,5-dihydropyrrole-3-carbaldehyde
CID 100941784
3-phenylcyclobutane-1-carbaldehyde
CID 45083349
2,6-diphenyloxan-4-one
CID 500287

Frequently Asked Questions

What is the IUPAC name of (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde (CID 101450400) is (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde is CC1=CC=C(C=O)[C@@H](c2ccccc2)C1.
What is the InChIKey of (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is CWURJFZJIAPJTH-CQSZACIVSA-N. The full InChI is InChI=1S/C14H14O/c1-11-7-8-13(10-15)14(9-11)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3/t14-/m1/s1.
What are the key properties of (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde?
(6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 198.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-methyl-6-phenylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 101450400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).