[2,4-bis(3-phenylpropoxy)phenyl]methanol

C25H28O3 — CID 54794890

IUPAC[2,4-bis(3-phenylpropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCc2ccccc2)cc1OCCCc1ccccc1
InChIInChI=1S/C25H28O3/c26-20-23-15-16-24(27-17-7-13-21-9-3-1-4-10-21)19-25(23)28-18-8-14-22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26H,7-8,13-14,17-18,20H2
InChIKeyFCTJLPDBMISSMA-UHFFFAOYSA-N
MW376.50 g/mol
LogP5.20
Rot. Bonds11

About [2,4-bis(3-phenylpropoxy)phenyl]methanol

[2,4-bis(3-phenylpropoxy)phenyl]methanol (PubChem CID 54794890) has the molecular formula C25H28O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is [2,4-bis(3-phenylpropoxy)phenyl]methanol.

Molecular Properties

Compound Name[2,4-bis(3-phenylpropoxy)phenyl]methanol
PubChem CID54794890
Molecular FormulaC25H28O3
Molecular Weight376.50 g/mol
Exact Mass376.20
IUPAC Name[2,4-bis(3-phenylpropoxy)phenyl]methanol
SMILESOCc1ccc(OCCCc2ccccc2)cc1OCCCc1ccccc1
InChIInChI=1S/C25H28O3/c26-20-23-15-16-24(27-17-7-13-21-9-3-1-4-10-21)19-25(23)28-18-8-14-22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26H,7-8,13-14,17-18,20H2
InChIKeyFCTJLPDBMISSMA-UHFFFAOYSA-N
XLogP5.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.50
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]-2-phenylethanamine
CID 54804846
(2,4-dipentoxyphenyl)methanol
CID 54794877
N-[[2,4-bis(2-phenoxyethoxy)phenyl]methyl]-3-phenylpropan-1-amine
CID 54804457
[5-chloro-2-(3-phenylpropoxy)phenyl]methanol
CID 43324882
N-[[2,4-bis(3-phenylpropoxy)phenyl]methyl]octan-1-amine
CID 54807874
2-(3-phenylpropoxy)naphthalene
CID 13432986
[4-methoxy-2-(4-phenylbutoxy)phenyl]methanamine
CID 114332989
[3-bromo-4-(3-phenylpropoxy)phenyl]methanol
CID 63051637
[2,4-bis(3,7,11,15-tetramethylhexadecoxy)phenyl]methanol
CID 56940895
1-butyl-4-phenylmethoxy-2-propoxybenzene
CID 139774121
[4-methoxy-2-(2-pyridin-4-ylethoxy)phenyl]methanol
CID 61268316
[2-dodecoxy-4-[11-tri(propan-2-yl)silyloxyundecoxy]phenyl]methanol
CID 159571460

Frequently Asked Questions

What is the IUPAC name of [2,4-bis(3-phenylpropoxy)phenyl]methanol?
The IUPAC name of [2,4-bis(3-phenylpropoxy)phenyl]methanol (CID 54794890) is [2,4-bis(3-phenylpropoxy)phenyl]methanol.
What is the SMILES notation for [2,4-bis(3-phenylpropoxy)phenyl]methanol?
The canonical SMILES for [2,4-bis(3-phenylpropoxy)phenyl]methanol is OCc1ccc(OCCCc2ccccc2)cc1OCCCc1ccccc1.
What is the InChIKey of [2,4-bis(3-phenylpropoxy)phenyl]methanol?
The InChIKey is FCTJLPDBMISSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3/c26-20-23-15-16-24(27-17-7-13-21-9-3-1-4-10-21)19-25(23)28-18-8-14-22-11-5-2-6-12-22/h1-6,9-12,15-16,19,26H,7-8,13-14,17-18,20H2.
What are the key properties of [2,4-bis(3-phenylpropoxy)phenyl]methanol?
[2,4-bis(3-phenylpropoxy)phenyl]methanol has a molecular weight of 376.50 g/mol, XLogP of 5.20, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-bis(3-phenylpropoxy)phenyl]methanol is sourced from PubChem (CID 54794890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).