4-methylcyclopenta-1,3-dien-1-ol

C6H8O — CID 72585144

IUPAC4-methylcyclopenta-1,3-dien-1-ol
SMILESCC1=CC=C(O)C1
InChIInChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h2-3,7H,4H2,1H3
InChIKeyQYBCMCYDNLIGOR-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.78
Rot. Bonds

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

4-methylcyclopenta-1,3-dien-1-ol (PubChem CID 72585144) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 4-methylcyclopenta-1,3-dien-1-ol.

Molecular Properties

Compound Name4-methylcyclopenta-1,3-dien-1-ol
PubChem CID72585144
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name4-methylcyclopenta-1,3-dien-1-ol
SMILESCC1=CC=C(O)C1
InChIInChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h2-3,7H,4H2,1H3
InChIKeyQYBCMCYDNLIGOR-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methane;4-methylcyclohexa-1,3-dien-1-ol
CID 142050116
1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene
CID 59165307
1-fluoro-4-methylcyclopenta-1,3-diene
CID 143604595
1-iodo-4-methylcyclopenta-1,3-diene
CID 146551117
1-methyl-4-prop-1-en-2-ylcyclopenta-1,3-diene
CID 143480455
2-[4-[4-[4-[3-hydroxy-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4-[4-[4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,4-dien-1-ol
CID 91157778
(NZ)-N-[(4-methylcyclopenta-1,3-dien-1-yl)methylidene]hydroxylamine
CID 123246607
2,4-dimethyl-3H-azepine
CID 91195972
1-methyl-4-propylcyclopenta-1,3-diene
CID 18798459
5-methylcyclohexa-2,4-diene-1,2-diol
CID 89198573
1-methyl-4-[(1Z,3E)-3-methylpenta-1,3-dienyl]cyclopenta-1,3-diene
CID 142890405
10-hydroxy-3-methyl-4H-anthracen-9-one
CID 143056361

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclopenta-1,3-dien-1-ol?
The IUPAC name of 4-methylcyclopenta-1,3-dien-1-ol (CID 72585144) is 4-methylcyclopenta-1,3-dien-1-ol.
What is the SMILES notation for 4-methylcyclopenta-1,3-dien-1-ol?
The canonical SMILES for 4-methylcyclopenta-1,3-dien-1-ol is CC1=CC=C(O)C1.
What is the InChIKey of 4-methylcyclopenta-1,3-dien-1-ol?
The InChIKey is QYBCMCYDNLIGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-5-2-3-6(7)4-5/h2-3,7H,4H2,1H3.
What are the key properties of 4-methylcyclopenta-1,3-dien-1-ol?
4-methylcyclopenta-1,3-dien-1-ol has a molecular weight of 96.13 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclopenta-1,3-dien-1-ol is sourced from PubChem (CID 72585144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).