7,8,10,12-tetramethylbenzo[a]heptalen-4-ol

C20H20O — CID 102079592

IUPAC7,8,10,12-tetramethylbenzo[a]heptalen-4-ol
SMILESCC1=CC(C)=C2C(C)=CC=c3c(O)cccc3=C2C(C)=C1
InChIInChI=1S/C20H20O/c1-12-10-14(3)19-13(2)8-9-16-17(6-5-7-18(16)21)20(19)15(4)11-12/h5-11,21H,1-4H3
InChIKeyBSRGMZFYZVXMJG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.51
Rot. Bonds

About 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol

7,8,10,12-tetramethylbenzo[a]heptalen-4-ol (PubChem CID 102079592) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol.

Molecular Properties

Compound Name7,8,10,12-tetramethylbenzo[a]heptalen-4-ol
PubChem CID102079592
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name7,8,10,12-tetramethylbenzo[a]heptalen-4-ol
SMILESCC1=CC(C)=C2C(C)=CC=c3c(O)cccc3=C2C(C)=C1
InChIInChI=1S/C20H20O/c1-12-10-14(3)19-13(2)8-9-16-17(6-5-7-18(16)21)20(19)15(4)11-12/h5-11,21H,1-4H3
InChIKeyBSRGMZFYZVXMJG-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-Bis(3-methylbut-2-enyl)-3,6-bis(3-methylbut-2-enylidene)cyclohexa-1,4-diene-1,4-diol
CID 90844568
4-Methylene-2-(3-methylbut-2-en-1-yl)-phenol
CID 168268211
7,12-Dimethyl-9-propan-2-ylbenzo[a]heptalene-2,4-diol
CID 101721104
8,10,12-Trimethylbenzo[a]heptalene-2,4-diol
CID 101721105
7,12-Dimethyl-9-propan-2-ylbenzo[a]heptalen-4-ol
CID 102079591
1H-benzo[7]annulen-5-ol
CID 21319344
Tricyclo[9.4.0.03,8]pentadeca-1(15),2,4,6,8,10,13-heptaen-2-ol
CID 21946153
2,6-Bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
CID 22151679
Heptalen-1-ol
CID 57470832
4-Propan-2-ylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
CID 66734023
6-Butyl-4-butylidene-5-methylcyclohexa-1,5-dien-1-ol
CID 67251524
4-Methylidene-5,6-bis(prop-2-enyl)cyclohexa-1,5-dien-1-ol
CID 67296525

Frequently Asked Questions

What is the IUPAC name of 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol?
The IUPAC name of 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol (CID 102079592) is 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol.
What is the SMILES notation for 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol?
The canonical SMILES for 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol is CC1=CC(C)=C2C(C)=CC=c3c(O)cccc3=C2C(C)=C1.
What is the InChIKey of 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol?
The InChIKey is BSRGMZFYZVXMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O/c1-12-10-14(3)19-13(2)8-9-16-17(6-5-7-18(16)21)20(19)15(4)11-12/h5-11,21H,1-4H3.
What are the key properties of 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol?
7,8,10,12-tetramethylbenzo[a]heptalen-4-ol has a molecular weight of 276.38 g/mol, XLogP of 3.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,10,12-tetramethylbenzo[a]heptalen-4-ol is sourced from PubChem (CID 102079592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).