1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol

C14H18O2 — CID 159742479

IUPAC1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
SMILESCC1=CC=CCC1(C)O.Oc1ccccc1
InChIInChI=1S/C8H12O.C6H6O/c1-7-5-3-4-6-8(7,2)9;7-6-4-2-1-3-5-6/h3-5,9H,6H2,1-2H3;1-5,7H
InChIKeyNCQCMXDPZVRCPR-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.04
Rot. Bonds

About 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol

1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol (PubChem CID 159742479) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol.

Molecular Properties

Compound Name1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
PubChem CID159742479
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol
SMILESCC1=CC=CCC1(C)O.Oc1ccccc1
InChIInChI=1S/C8H12O.C6H6O/c1-7-5-3-4-6-8(7,2)9;7-6-4-2-1-3-5-6/h3-5,9H,6H2,1-2H3;1-5,7H
InChIKeyNCQCMXDPZVRCPR-UHFFFAOYSA-N
XLogP3.04
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1,6,6-trimethylcyclohexa-1,3-diene
CID 57009122
ethane;phenol
CID 161156308
magnesium;phenol;dihydroxide
CID 70562244
phenol;bis(yttrium)
CID 59089942
CID 161001247
CID 161001247
molybdenum;phenol
CID 154246724
argon;phenol
CID 159678450
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol?
The IUPAC name of 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol (CID 159742479) is 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol.
What is the SMILES notation for 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol?
The canonical SMILES for 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol is CC1=CC=CCC1(C)O.Oc1ccccc1.
What is the InChIKey of 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol?
The InChIKey is NCQCMXDPZVRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O.C6H6O/c1-7-5-3-4-6-8(7,2)9;7-6-4-2-1-3-5-6/h3-5,9H,6H2,1-2H3;1-5,7H.
What are the key properties of 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol?
1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol has a molecular weight of 218.30 g/mol, XLogP of 3.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclohexa-2,4-dien-1-ol;phenol is sourced from PubChem (CID 159742479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).