3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol

C15H18O — CID 142829523

IUPAC3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol
SMILESCC1=CC(Cc2cccc(O)c2)=CCCC1
InChIInChI=1S/C15H18O/c1-12-5-2-3-6-13(9-12)10-14-7-4-8-15(16)11-14/h4,6-9,11,16H,2-3,5,10H2,1H3
InChIKeyLFFYRJYHCJWCMF-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.99
Rot. Bonds2

About 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol

3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol (PubChem CID 142829523) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol
PubChem CID142829523
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol
SMILESCC1=CC(Cc2cccc(O)c2)=CCCC1
InChIInChI=1S/C15H18O/c1-12-5-2-3-6-13(9-12)10-14-7-4-8-15(16)11-14/h4,6-9,11,16H,2-3,5,10H2,1H3
InChIKeyLFFYRJYHCJWCMF-UHFFFAOYSA-N
XLogP3.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol?
The IUPAC name of 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol (CID 142829523) is 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol.
What is the SMILES notation for 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol?
The canonical SMILES for 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol is CC1=CC(Cc2cccc(O)c2)=CCCC1.
What is the InChIKey of 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol?
The InChIKey is LFFYRJYHCJWCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-12-5-2-3-6-13(9-12)10-14-7-4-8-15(16)11-14/h4,6-9,11,16H,2-3,5,10H2,1H3.
What are the key properties of 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol?
3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol has a molecular weight of 214.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylcyclohepta-1,6-dien-1-yl)methyl]phenol is sourced from PubChem (CID 142829523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).