cyclohexa-2,4-dien-1-ylmethanol

C7H10O — CID 556313

IUPACcyclohexa-2,4-dien-1-ylmethanol
SMILESOCC1C=CC=CC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-4,7-8H,5-6H2
InChIKeyOPKBTADLGAZTRW-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.11
Rot. Bonds1

About cyclohexa-2,4-dien-1-ylmethanol

cyclohexa-2,4-dien-1-ylmethanol (PubChem CID 556313) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylmethanol.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylmethanol
PubChem CID556313
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namecyclohexa-2,4-dien-1-ylmethanol
SMILESOCC1C=CC=CC1
InChIInChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-4,7-8H,5-6H2
InChIKeyOPKBTADLGAZTRW-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylmethanol?
The IUPAC name of cyclohexa-2,4-dien-1-ylmethanol (CID 556313) is cyclohexa-2,4-dien-1-ylmethanol.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylmethanol?
The canonical SMILES for cyclohexa-2,4-dien-1-ylmethanol is OCC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylmethanol?
The InChIKey is OPKBTADLGAZTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-4,7-8H,5-6H2.
What are the key properties of cyclohexa-2,4-dien-1-ylmethanol?
cyclohexa-2,4-dien-1-ylmethanol has a molecular weight of 110.16 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylmethanol is sourced from PubChem (CID 556313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).