[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol

C25H30O2 — CID 54455854

IUPAC[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1CCCCCCCCc1ccco1
InChIInChI=1S/C25H30O2/c26-25(22-15-7-5-8-16-22)24-19-11-10-14-21(24)13-6-3-1-2-4-9-17-23-18-12-20-27-23/h5,7-8,10-12,14-16,18-20,25-26H,1-4,6,9,13,17H2
InChIKeyWYDKDKQPRFDWAO-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.49
Rot. Bonds11

About [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol

[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol (PubChem CID 54455854) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol.

Molecular Properties

Compound Name[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol
PubChem CID54455854
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol
SMILESOC(c1ccccc1)c1ccccc1CCCCCCCCc1ccco1
InChIInChI=1S/C25H30O2/c26-25(22-15-7-5-8-16-22)24-19-11-10-14-21(24)13-6-3-1-2-4-9-17-23-18-12-20-27-23/h5,7-8,10-12,14-16,18-20,25-26H,1-4,6,9,13,17H2
InChIKeyWYDKDKQPRFDWAO-UHFFFAOYSA-N
XLogP6.49
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(furan-2-yl)-2-phenylheptanethioic S-acid
CID 88622330
11-(furan-2-yl)undecan-1-ol
CID 139763920
2-(3-naphthalen-1-ylpropyl)furan
CID 102292642
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
(R)-[2-[(dimethylamino)methyl]phenyl]-phenylmethanol
CID 2054209
3-(furan-2-yl)-1,1-diphenylpropan-2-one
CID 83171492
1-(2-fluorophenyl)-3-(furan-2-yl)propan-1-ol
CID 105083868
1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
CID 63814324
2-(dimethylamino)-N-[3-(furan-2-yl)propoxy]-2-phenylacetamide
CID 110634209
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
2-(6-methyloctyl)furan
CID 86091629
2-(3-chloropropyl)furan
CID 12549641

Frequently Asked Questions

What is the IUPAC name of [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol?
The IUPAC name of [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol (CID 54455854) is [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol.
What is the SMILES notation for [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol?
The canonical SMILES for [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol is OC(c1ccccc1)c1ccccc1CCCCCCCCc1ccco1.
What is the InChIKey of [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol?
The InChIKey is WYDKDKQPRFDWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c26-25(22-15-7-5-8-16-22)24-19-11-10-14-21(24)13-6-3-1-2-4-9-17-23-18-12-20-27-23/h5,7-8,10-12,14-16,18-20,25-26H,1-4,6,9,13,17H2.
What are the key properties of [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol?
[2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol has a molecular weight of 362.51 g/mol, XLogP of 6.49, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[8-(furan-2-yl)octyl]phenyl]-phenylmethanol is sourced from PubChem (CID 54455854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).