7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol

C23H32O2 — CID 141024363

IUPAC7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(CCc2cccc(CO)c2)c1
InChIInChI=1S/C23H32O2/c1-23(2,25)15-5-3-4-8-19-9-6-10-20(16-19)13-14-21-11-7-12-22(17-21)18-24/h6-7,9-12,16-17,24-25H,3-5,8,13-15,18H2,1-2H3
InChIKeyLTHWTUFQYDHYSQ-UHFFFAOYSA-N
MW340.51 g/mol
LogP4.84
Rot. Bonds10

About 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol

7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol (PubChem CID 141024363) has the molecular formula C23H32O2 and a molecular weight of 340.51 g/mol. Its IUPAC name is 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol.

Molecular Properties

Compound Name7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
PubChem CID141024363
Molecular FormulaC23H32O2
Molecular Weight340.51 g/mol
Exact Mass340.24
IUPAC Name7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
SMILESCC(C)(O)CCCCCc1cccc(CCc2cccc(CO)c2)c1
InChIInChI=1S/C23H32O2/c1-23(2,25)15-5-3-4-8-19-9-6-10-20(16-19)13-14-21-11-7-12-22(17-21)18-24/h6-7,9-12,16-17,24-25H,3-5,8,13-15,18H2,1-2H3
InChIKeyLTHWTUFQYDHYSQ-UHFFFAOYSA-N
XLogP4.84
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.51
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[4-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol
CID 141024325
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
7-[3-[(E)-2-[4-(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 23439974
[3-(6-phenylhexyl)phenyl]methanol
CID 139920561
2-methyl-6-phenylhexan-2-ol
CID 12716611
7-[3-[2-[3,4-bis(hydroxymethyl)phenyl]ethenyl]phenyl]-2-methylheptan-2-ol
CID 57167140
3-[(E)-2-[3-(7-hydroxy-7-methyloctyl)phenyl]ethenyl]phenol
CID 23439737
7-[3-(6-carboxy-6-methylheptyl)phenyl]-2,2-dimethylheptanoic acid
CID 155770738
4-[2-[3-(6-hydroxy-6-methylheptyl)phenyl]ethenyl]benzene-1,2-diol
CID 57119515
7-[3-(hydroxymethyl)phenyl]heptanoic acid
CID 174451541
6-(4-ethylphenyl)-2-methylhexan-2-ol
CID 98014254
[3-(2,2-dimethylpropyl)phenyl]methanol
CID 23381572

Frequently Asked Questions

What is the IUPAC name of 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol?
The IUPAC name of 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol (CID 141024363) is 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol.
What is the SMILES notation for 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol?
The canonical SMILES for 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol is CC(C)(O)CCCCCc1cccc(CCc2cccc(CO)c2)c1.
What is the InChIKey of 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol?
The InChIKey is LTHWTUFQYDHYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32O2/c1-23(2,25)15-5-3-4-8-19-9-6-10-20(16-19)13-14-21-11-7-12-22(17-21)18-24/h6-7,9-12,16-17,24-25H,3-5,8,13-15,18H2,1-2H3.
What are the key properties of 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol?
7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol has a molecular weight of 340.51 g/mol, XLogP of 4.84, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[2-[3-(hydroxymethyl)phenyl]ethyl]phenyl]-2-methylheptan-2-ol is sourced from PubChem (CID 141024363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).