1-phenyl-2-(4-propylphenoxy)butan-1-ol

C19H24O2 — CID 63467207

IUPAC1-phenyl-2-(4-propylphenoxy)butan-1-ol
SMILESCCCc1ccc(OC(CC)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-3-8-15-11-13-17(14-12-15)21-18(4-2)19(20)16-9-6-5-7-10-16/h5-7,9-14,18-20H,3-4,8H2,1-2H3
InChIKeyONWPMWFPKHBMKO-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.53
Rot. Bonds7

About 1-phenyl-2-(4-propylphenoxy)butan-1-ol

1-phenyl-2-(4-propylphenoxy)butan-1-ol (PubChem CID 63467207) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-phenyl-2-(4-propylphenoxy)butan-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(4-propylphenoxy)butan-1-ol
PubChem CID63467207
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name1-phenyl-2-(4-propylphenoxy)butan-1-ol
SMILESCCCc1ccc(OC(CC)C(O)c2ccccc2)cc1
InChIInChI=1S/C19H24O2/c1-3-8-15-11-13-17(14-12-15)21-18(4-2)19(20)16-9-6-5-7-10-16/h5-7,9-14,18-20H,3-4,8H2,1-2H3
InChIKeyONWPMWFPKHBMKO-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-1-(4-propylphenyl)butan-1-ol
CID 116710776
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
3-(dimethylamino)-2-phenoxy-1-phenylpropan-1-ol
CID 21410
2-methoxy-1-(3-propylphenyl)butan-1-ol
CID 116710935
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
2-phenoxy-1-(4-propylphenyl)ethanol
CID 54943234
1-(4-butylphenyl)-2-phenylbutan-1-ol
CID 63427121
2-phenoxy-1-phenylbutan-1-amine
CID 43211594
(3-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 62919489
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
[(2S)-2-hydroxy-3-(4-propylphenoxy)propyl]-[(1R)-1-phenylethyl]azanium
CID 6957345

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(4-propylphenoxy)butan-1-ol?
The IUPAC name of 1-phenyl-2-(4-propylphenoxy)butan-1-ol (CID 63467207) is 1-phenyl-2-(4-propylphenoxy)butan-1-ol.
What is the SMILES notation for 1-phenyl-2-(4-propylphenoxy)butan-1-ol?
The canonical SMILES for 1-phenyl-2-(4-propylphenoxy)butan-1-ol is CCCc1ccc(OC(CC)C(O)c2ccccc2)cc1.
What is the InChIKey of 1-phenyl-2-(4-propylphenoxy)butan-1-ol?
The InChIKey is ONWPMWFPKHBMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-3-8-15-11-13-17(14-12-15)21-18(4-2)19(20)16-9-6-5-7-10-16/h5-7,9-14,18-20H,3-4,8H2,1-2H3.
What are the key properties of 1-phenyl-2-(4-propylphenoxy)butan-1-ol?
1-phenyl-2-(4-propylphenoxy)butan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(4-propylphenoxy)butan-1-ol is sourced from PubChem (CID 63467207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).