3-phenoxy-1-(4-propylphenyl)propan-1-ol

C18H22O2 — CID 62802067

IUPAC3-phenoxy-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)CCOc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyMFXVPRGTOIWFSC-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.14
Rot. Bonds7

About 3-phenoxy-1-(4-propylphenyl)propan-1-ol

3-phenoxy-1-(4-propylphenyl)propan-1-ol (PubChem CID 62802067) has the molecular formula C18H22O2 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-phenoxy-1-(4-propylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-phenoxy-1-(4-propylphenyl)propan-1-ol
PubChem CID62802067
Molecular FormulaC18H22O2
Molecular Weight270.37 g/mol
Exact Mass270.16
IUPAC Name3-phenoxy-1-(4-propylphenyl)propan-1-ol
SMILESCCCc1ccc(C(O)CCOc2ccccc2)cc1
InChIInChI=1S/C18H22O2/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h3-5,7-12,18-19H,2,6,13-14H2,1H3
InChIKeyMFXVPRGTOIWFSC-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

2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
3-phenyl-1-(4-propoxyphenyl)propan-1-ol
CID 62795595
3-(3-ethylphenoxy)-1-phenylpropan-1-ol
CID 116693327
3-phenoxy-1-pyridin-4-ylpropan-1-ol
CID 115003137
(1S)-1-[4-(3-phenylpropoxy)phenyl]propan-1-ol
CID 78933443
3-phenoxy-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 62790964
(1S)-1-[4-(2-phenoxyethoxy)phenyl]propan-1-ol
CID 78932191
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
(1R,6R)-1,6-bis(4-butoxyphenyl)hexane-1,6-diol
CID 7452438
(1R)-1-[4-(3-phenoxypropoxy)phenyl]propan-1-ol
CID 63365592
(3R)-1-phenoxyhexan-3-ol
CID 102063151
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-1-(4-propylphenyl)propan-1-ol?
The IUPAC name of 3-phenoxy-1-(4-propylphenyl)propan-1-ol (CID 62802067) is 3-phenoxy-1-(4-propylphenyl)propan-1-ol.
What is the SMILES notation for 3-phenoxy-1-(4-propylphenyl)propan-1-ol?
The canonical SMILES for 3-phenoxy-1-(4-propylphenyl)propan-1-ol is CCCc1ccc(C(O)CCOc2ccccc2)cc1.
What is the InChIKey of 3-phenoxy-1-(4-propylphenyl)propan-1-ol?
The InChIKey is MFXVPRGTOIWFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2/c1-2-6-15-9-11-16(12-10-15)18(19)13-14-20-17-7-4-3-5-8-17/h3-5,7-12,18-19H,2,6,13-14H2,1H3.
What are the key properties of 3-phenoxy-1-(4-propylphenyl)propan-1-ol?
3-phenoxy-1-(4-propylphenyl)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-phenoxy-1-(4-propylphenyl)propan-1-ol is sourced from PubChem (CID 62802067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).