1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol

C14H14O — CID 145162638

IUPAC1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
SMILESCC1(O)C=CC=C(c2ccccc2)C=C1
InChIInChI=1S/C14H14O/c1-14(15)10-5-8-13(9-11-14)12-6-3-2-4-7-12/h2-11,15H,1H3
InChIKeyNAZCPJBSNYJNPN-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.95
Rot. Bonds1

About 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol

1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol (PubChem CID 145162638) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol.

Molecular Properties

Compound Name1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
PubChem CID145162638
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Name1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol
SMILESCC1(O)C=CC=C(c2ccccc2)C=C1
InChIInChI=1S/C14H14O/c1-14(15)10-5-8-13(9-11-14)12-6-3-2-4-7-12/h2-11,15H,1H3
InChIKeyNAZCPJBSNYJNPN-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7-tert-butyl-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 143426144
4-(3,5-diphenylphenyl)-1-methylcyclohepta-2,4,6-trien-1-amine
CID 146580162
7-(ethoxymethyl)-7-methyl-3-phenylcyclohepta-1,3,5-triene
CID 148559000
cyclobutadienylbenzene
CID 86042442
1-methyl-4-phenylcyclohexa-2,4-dien-1-ol
CID 70019499
7-methyl-7-[4-[(4R)-4-methylcyclohepta-1,6-dien-1-yl]cyclohepta-3,5-dien-1-yl]-3-phenylcyclohepta-1,3,5-triene
CID 171619886
2-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)-4,6-diphenylpyridine
CID 138481846
(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 140580358
1,4-bis(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)naphthalene
CID 144703387
CID 172735714
CID 172735714
1-methyl-4-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]cyclohepta-2,4,6-trien-1-amine
CID 138481842
1-methyl-5-phenylcyclohexa-2,4-diene-1-carboxylic acid
CID 70699977

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol?
The IUPAC name of 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol (CID 145162638) is 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol.
What is the SMILES notation for 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol?
The canonical SMILES for 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol is CC1(O)C=CC=C(c2ccccc2)C=C1.
What is the InChIKey of 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol?
The InChIKey is NAZCPJBSNYJNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c1-14(15)10-5-8-13(9-11-14)12-6-3-2-4-7-12/h2-11,15H,1H3.
What are the key properties of 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol?
1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol has a molecular weight of 198.27 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-phenylcyclohepta-2,4,6-trien-1-ol is sourced from PubChem (CID 145162638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).