4-benzylcyclohexa-1,3-dien-1-ol

C13H14O — CID 143568768

IUPAC4-benzylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(Cc2ccccc2)CC1
InChIInChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,14H,7,9-10H2
InChIKeyRJBCFMWQJMLOHN-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.39
Rot. Bonds2

About 4-benzylcyclohexa-1,3-dien-1-ol

4-benzylcyclohexa-1,3-dien-1-ol (PubChem CID 143568768) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 4-benzylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-benzylcyclohexa-1,3-dien-1-ol
PubChem CID143568768
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name4-benzylcyclohexa-1,3-dien-1-ol
SMILESOC1=CC=C(Cc2ccccc2)CC1
InChIInChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,14H,7,9-10H2
InChIKeyRJBCFMWQJMLOHN-UHFFFAOYSA-N
XLogP3.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-benzylcyclohexa-1,3-dien-1-ol (CID 143568768) is 4-benzylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-benzylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-benzylcyclohexa-1,3-dien-1-ol is OC1=CC=C(Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylcyclohexa-1,3-dien-1-ol?
The InChIKey is RJBCFMWQJMLOHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,14H,7,9-10H2.
What are the key properties of 4-benzylcyclohexa-1,3-dien-1-ol?
4-benzylcyclohexa-1,3-dien-1-ol has a molecular weight of 186.25 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 143568768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).