4-[(3-methylazulen-1-yl)methyl]phenol

C18H16O — CID 10514709

IUPAC4-[(3-methylazulen-1-yl)methyl]phenol
SMILESCc1cc(Cc2ccc(O)cc2)c2cccccc1-2
InChIInChI=1S/C18H16O/c1-13-11-15(12-14-7-9-16(19)10-8-14)18-6-4-2-3-5-17(13)18/h2-11,19H,12H2,1H3
InChIKeySIUYKSDSVWUHNM-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.40
Rot. Bonds2

About 4-[(3-methylazulen-1-yl)methyl]phenol

4-[(3-methylazulen-1-yl)methyl]phenol (PubChem CID 10514709) has the molecular formula C18H16O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-[(3-methylazulen-1-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-methylazulen-1-yl)methyl]phenol
PubChem CID10514709
Molecular FormulaC18H16O
Molecular Weight248.33 g/mol
Exact Mass248.12
IUPAC Name4-[(3-methylazulen-1-yl)methyl]phenol
SMILESCc1cc(Cc2ccc(O)cc2)c2cccccc1-2
InChIInChI=1S/C18H16O/c1-13-11-15(12-14-7-9-16(19)10-8-14)18-6-4-2-3-5-17(13)18/h2-11,19H,12H2,1H3
InChIKeySIUYKSDSVWUHNM-UHFFFAOYSA-N
XLogP4.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Dienestrol
CID 667476
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814
Bisphenol B
CID 66166
4-Cumylphenol
CID 11742
4-n-Octylphenol
CID 15730
4-Propylphenol
CID 12580
4-Dodecylphenol
CID 66030
4-sec-Butylphenol
CID 7453

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylazulen-1-yl)methyl]phenol?
The IUPAC name of 4-[(3-methylazulen-1-yl)methyl]phenol (CID 10514709) is 4-[(3-methylazulen-1-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-methylazulen-1-yl)methyl]phenol?
The canonical SMILES for 4-[(3-methylazulen-1-yl)methyl]phenol is Cc1cc(Cc2ccc(O)cc2)c2cccccc1-2.
What is the InChIKey of 4-[(3-methylazulen-1-yl)methyl]phenol?
The InChIKey is SIUYKSDSVWUHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O/c1-13-11-15(12-14-7-9-16(19)10-8-14)18-6-4-2-3-5-17(13)18/h2-11,19H,12H2,1H3.
What are the key properties of 4-[(3-methylazulen-1-yl)methyl]phenol?
4-[(3-methylazulen-1-yl)methyl]phenol has a molecular weight of 248.33 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylazulen-1-yl)methyl]phenol is sourced from PubChem (CID 10514709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).