(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol

C19H24O2 — CID 104893874

IUPAC(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-18(20)17-13-6-7-14-19(17)21-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,18,20H,2,8-9,12,15H2,1H3/t18-/m0/s1
InChIKeyCFCFYTMZGFDCQK-SFHVURJKSA-N
MW284.40 g/mol
LogP4.53
Rot. Bonds8

About (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol

(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol (PubChem CID 104893874) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
PubChem CID104893874
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
SMILESCC[C@H](O)c1ccccc1OCCCCc1ccccc1
InChIInChI=1S/C19H24O2/c1-2-18(20)17-13-6-7-14-19(17)21-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,18,20H,2,8-9,12,15H2,1H3/t18-/m0/s1
InChIKeyCFCFYTMZGFDCQK-SFHVURJKSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(2-hexoxyphenyl)propan-1-ol
CID 78930140
1-(2-heptoxyphenyl)propan-1-ol
CID 43503487
(1S)-1-(2-heptoxyphenyl)propan-1-ol
CID 78944609
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
(1S)-1-(2-phenylmethoxyphenyl)propan-1-ol
CID 63365062
(1R)-1-[2-(3-ethylsulfonylpropoxy)phenyl]propan-1-ol
CID 65098384
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
(1S)-1-[2-(2-phenylethoxy)phenyl]ethanol
CID 78931363
(1S)-1-[2-[2-(diethylamino)ethoxy]phenyl]propan-1-ol
CID 78930393
(1S)-1-[2-(3,3,3-trifluoropropoxy)phenyl]propan-1-ol
CID 78996550
6-[2-[(1R)-1-hydroxypropyl]phenoxy]-2,2-dimethylhexanenitrile
CID 106712954
1-(2-pent-3-ynoxyphenyl)propan-1-ol
CID 104808206

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol?
The IUPAC name of (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol (CID 104893874) is (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol?
The canonical SMILES for (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol is CC[C@H](O)c1ccccc1OCCCCc1ccccc1.
What is the InChIKey of (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol?
The InChIKey is CFCFYTMZGFDCQK-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24O2/c1-2-18(20)17-13-6-7-14-19(17)21-15-9-8-12-16-10-4-3-5-11-16/h3-7,10-11,13-14,18,20H,2,8-9,12,15H2,1H3/t18-/m0/s1.
What are the key properties of (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol?
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol has a molecular weight of 284.40 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol is sourced from PubChem (CID 104893874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).