1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol

C17H26O2 — CID 65160664

IUPAC1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCCCc1ccc(C(O)CCC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-2-3-5-14-7-9-15(10-8-14)17(18)12-11-16-6-4-13-19-16/h7-10,16-18H,2-6,11-13H2,1H3
InChIKeyGTCARZBHEDYCHX-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.02
Rot. Bonds7

About 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol

1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 65160664) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID65160664
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCCCCc1ccc(C(O)CCC2CCCO2)cc1
InChIInChI=1S/C17H26O2/c1-2-3-5-14-7-9-15(10-8-14)17(18)12-11-16-6-4-13-19-16/h7-10,16-18H,2-6,11-13H2,1H3
InChIKeyGTCARZBHEDYCHX-UHFFFAOYSA-N
XLogP4.02
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-butylphenyl)-3-(oxan-2-yl)propan-1-amine
CID 63952731
3-(oxolan-2-yl)-1-(4-propoxyphenyl)propan-1-ol
CID 65162391
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
[3-(oxolan-2-yl)-1-(4-propylphenyl)propyl]hydrazine
CID 105303812
2-[2-(4-butylphenyl)-2-chloroethyl]oxolane
CID 65157757
1-(4-butylphenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43111276
1-(4-butylphenyl)butan-1-ol
CID 61088483
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
3-(oxolan-2-yl)-N-propyl-1-(4-propylphenyl)propan-1-amine
CID 65156384
(1R)-3-(1,3-dioxan-2-yl)-1-(4-ethylphenyl)propan-1-ol
CID 97293246
1-(1,3-dihydro-2-benzofuran-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 65158240
1-[4-(difluoromethoxy)phenyl]-4-(oxolan-2-yl)butan-1-ol
CID 65161859

Frequently Asked Questions

What is the IUPAC name of 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol (CID 65160664) is 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol is CCCCc1ccc(C(O)CCC2CCCO2)cc1.
What is the InChIKey of 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is GTCARZBHEDYCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-2-3-5-14-7-9-15(10-8-14)17(18)12-11-16-6-4-13-19-16/h7-10,16-18H,2-6,11-13H2,1H3.
What are the key properties of 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol?
1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 262.39 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butylphenyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 65160664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).