(1S)-1-(2-heptoxyphenyl)propan-1-ol

C16H26O2 — CID 78944609

IUPAC(1S)-1-(2-heptoxyphenyl)propan-1-ol
SMILESCCCCCCCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-10-13-18-16-12-9-8-11-14(16)15(17)4-2/h8-9,11-12,15,17H,3-7,10,13H2,1-2H3/t15-/m0/s1
InChIKeyDZGFOQFPSFGBDO-HNNXBMFYSA-N
MW250.38 g/mol
LogP4.48
Rot. Bonds9

About (1S)-1-(2-heptoxyphenyl)propan-1-ol

(1S)-1-(2-heptoxyphenyl)propan-1-ol (PubChem CID 78944609) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is (1S)-1-(2-heptoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name(1S)-1-(2-heptoxyphenyl)propan-1-ol
PubChem CID78944609
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name(1S)-1-(2-heptoxyphenyl)propan-1-ol
SMILESCCCCCCCOc1ccccc1[C@@H](O)CC
InChIInChI=1S/C16H26O2/c1-3-5-6-7-10-13-18-16-12-9-8-11-14(16)15(17)4-2/h8-9,11-12,15,17H,3-7,10,13H2,1-2H3/t15-/m0/s1
InChIKeyDZGFOQFPSFGBDO-HNNXBMFYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.48
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
5-[2-[(1R)-1-hydroxypropyl]phenoxy]pentan-1-ol
CID 78931048
2-amino-1-(2-hexoxyphenyl)ethanol
CID 102543640
(1R)-2-amino-1-(2-hexoxyphenyl)ethanol
CID 124500421
1-(2-propoxyphenyl)heptan-1-ol
CID 113438141
(1S)-1-(2-octoxyphenyl)ethanol
CID 55223229
(1R)-1-(2-nonoxyphenyl)ethanol
CID 78944592
(1S)-1-[2-(4-phenylbutoxy)phenyl]propan-1-ol
CID 104893874
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
(1S)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242449
(1R)-2-amino-1-(2-butoxyphenyl)ethanol
CID 39242447

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-heptoxyphenyl)propan-1-ol?
The IUPAC name of (1S)-1-(2-heptoxyphenyl)propan-1-ol (CID 78944609) is (1S)-1-(2-heptoxyphenyl)propan-1-ol.
What is the SMILES notation for (1S)-1-(2-heptoxyphenyl)propan-1-ol?
The canonical SMILES for (1S)-1-(2-heptoxyphenyl)propan-1-ol is CCCCCCCOc1ccccc1[C@@H](O)CC.
What is the InChIKey of (1S)-1-(2-heptoxyphenyl)propan-1-ol?
The InChIKey is DZGFOQFPSFGBDO-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H26O2/c1-3-5-6-7-10-13-18-16-12-9-8-11-14(16)15(17)4-2/h8-9,11-12,15,17H,3-7,10,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (1S)-1-(2-heptoxyphenyl)propan-1-ol?
(1S)-1-(2-heptoxyphenyl)propan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.48, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-heptoxyphenyl)propan-1-ol is sourced from PubChem (CID 78944609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).