methane;4-methylcyclohexa-1,3-dien-1-ol

C8H14O — CID 142050116

IUPACmethane;4-methylcyclohexa-1,3-dien-1-ol
SMILESC.CC1=CC=C(O)CC1
InChIInChI=1S/C7H10O.CH4/c1-6-2-4-7(8)5-3-6;/h2,4,8H,3,5H2,1H3;1H4
InChIKeySQYNFSLDGANGCN-UHFFFAOYSA-N
MW126.20 g/mol
LogP2.80
Rot. Bonds

About methane;4-methylcyclohexa-1,3-dien-1-ol

methane;4-methylcyclohexa-1,3-dien-1-ol (PubChem CID 142050116) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is methane;4-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Namemethane;4-methylcyclohexa-1,3-dien-1-ol
PubChem CID142050116
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Namemethane;4-methylcyclohexa-1,3-dien-1-ol
SMILESC.CC1=CC=C(O)CC1
InChIInChI=1S/C7H10O.CH4/c1-6-2-4-7(8)5-3-6;/h2,4,8H,3,5H2,1H3;1H4
InChIKeySQYNFSLDGANGCN-UHFFFAOYSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze methane;4-methylcyclohexa-1,3-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methylcyclopenta-1,3-dien-1-ol
CID 72585144
1,4-dimethylcyclohexa-1,3-diene;1,4-xylene
CID 142004310
4-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 91174535
ethene;4-[4-(4-hydroxycyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-dien-1-ol;propane
CID 144524510
ethane;methyl 4-methylcyclohexa-1,3-diene-1-carboxylate
CID 142945480
1-chloro-4-methylcyclohexa-1,3-diene;ethane
CID 143258352
1-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 123323176
4-methyl-N-(4-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,3-dien-1-amine
CID 153344986
4-methylcyclohexa-1,3-diene-1-carbonyl chloride
CID 89058972
4-propylcyclohexa-1,3-dien-1-ol
CID 129018446
ethane;4-ethenylcyclohexa-1,3-dien-1-ol
CID 144909914
1-but-2-en-2-yl-4-methylcyclohexa-1,3-diene
CID 123312515

Frequently Asked Questions

What is the IUPAC name of methane;4-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of methane;4-methylcyclohexa-1,3-dien-1-ol (CID 142050116) is methane;4-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for methane;4-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for methane;4-methylcyclohexa-1,3-dien-1-ol is C.CC1=CC=C(O)CC1.
What is the InChIKey of methane;4-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is SQYNFSLDGANGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.CH4/c1-6-2-4-7(8)5-3-6;/h2,4,8H,3,5H2,1H3;1H4.
What are the key properties of methane;4-methylcyclohexa-1,3-dien-1-ol?
methane;4-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142050116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).