3-phenyl-1-(4-propoxyphenyl)propan-1-ol

C18H22O2 — CID 62795595

IUPAC3-phenyl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h3-7,9-12,18-19H,2,8,13-14H2,1H3
InChIKeyCQFPQVMXWLZGJO-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.14
Rot. Bonds7

About 3-phenyl-1-(4-propoxyphenyl)propan-1-ol

3-phenyl-1-(4-propoxyphenyl)propan-1-ol (PubChem CID 62795595) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-phenyl-1-(4-propoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-phenyl-1-(4-propoxyphenyl)propan-1-ol
PubChem CID62795595
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-phenyl-1-(4-propoxyphenyl)propan-1-ol
SMILESCCCOc1ccc(C(O)CCc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h3-7,9-12,18-19H,2,8,13-14H2,1H3
InChIKeyCQFPQVMXWLZGJO-UHFFFAOYSA-N
XLogP4.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-1-(4-propoxyphenyl)propan-1-ol
CID 105095182
3-phenoxy-1-(4-propylphenyl)propan-1-ol
CID 62802067
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
1-[4-[3-(4-bromophenoxy)propoxy]phenyl]-4-phenylbutan-1-ol
CID 19382498
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
1-(4-phenylmethoxyphenyl)hexan-1-ol
CID 65145694
1-(4-phenylmethoxyphenyl)heptadecan-1-ol
CID 139807758
2-isocyano-1-[4-(2-phenylethoxy)phenyl]ethanol
CID 3677413
2-chloro-1-(4-propoxyphenyl)ethanol
CID 83001734
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-[phenyl-(4-propoxyphenyl)methyl]-4-propoxybenzene
CID 91374788

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The IUPAC name of 3-phenyl-1-(4-propoxyphenyl)propan-1-ol (CID 62795595) is 3-phenyl-1-(4-propoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The canonical SMILES for 3-phenyl-1-(4-propoxyphenyl)propan-1-ol is CCCOc1ccc(C(O)CCc2ccccc2)cc1.
What is the InChIKey of 3-phenyl-1-(4-propoxyphenyl)propan-1-ol?
The InChIKey is CQFPQVMXWLZGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-14-20-17-11-9-16(10-12-17)18(19)13-8-15-6-4-3-5-7-15/h3-7,9-12,18-19H,2,8,13-14H2,1H3.
What are the key properties of 3-phenyl-1-(4-propoxyphenyl)propan-1-ol?
3-phenyl-1-(4-propoxyphenyl)propan-1-ol has a molecular weight of 270.37 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(4-propoxyphenyl)propan-1-ol is sourced from PubChem (CID 62795595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).