1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol

C10H14O — CID 153384449

IUPAC1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
SMILESCC1=CC=C(C(C)O)C=CC1
InChIInChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3,5-7,9,11H,4H2,1-2H3
InChIKeyUUJAATMXXATIRT-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.20
Rot. Bonds1

About 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol

1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol (PubChem CID 153384449) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
PubChem CID153384449
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol
SMILESCC1=CC=C(C(C)O)C=CC1
InChIInChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3,5-7,9,11H,4H2,1-2H3
InChIKeyUUJAATMXXATIRT-UHFFFAOYSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanone
CID 142851451
4-bromo-1-methylcyclohepta-1,3,5-triene;ethane
CID 145346166
(1R)-1-cyclohexa-1,5-dien-1-ylethanol
CID 101132775
4-methoxy-1-methylcyclohepta-1,3,5-triene
CID 91084913
ethane;3-methylazetidine;1-methyl-4-prop-1-en-2-ylcyclohepta-1,3,5-triene
CID 153392432
4-propan-2-ylcyclohepta-1,3,5-trien-1-amine
CID 143215023
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
N,N-dimethyl-1-(4-methyl-1-bicyclo[4.1.0]hepta-2,4-dienyl)-1-(4-methylcyclohepta-1,3,6-trien-1-yl)methanamine
CID 142069182
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol?
The IUPAC name of 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol (CID 153384449) is 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol.
What is the SMILES notation for 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol?
The canonical SMILES for 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol is CC1=CC=C(C(C)O)C=CC1.
What is the InChIKey of 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol?
The InChIKey is UUJAATMXXATIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-8-4-3-5-10(7-6-8)9(2)11/h3,5-7,9,11H,4H2,1-2H3.
What are the key properties of 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol?
1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol has a molecular weight of 150.22 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohepta-1,3,6-trien-1-yl)ethanol is sourced from PubChem (CID 153384449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).