(2S)-2-(4-phenylphenoxy)propan-1-ol

C15H16O2 — CID 57166864

IUPAC(2S)-2-(4-phenylphenoxy)propan-1-ol
SMILESC[C@@H](CO)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-12(11-16)17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/t12-/m0/s1
InChIKeyMWCMUCQKTIZURT-LBPRGKRZSA-N
MW228.29 g/mol
LogP3.11
Rot. Bonds4

About (2S)-2-(4-phenylphenoxy)propan-1-ol

(2S)-2-(4-phenylphenoxy)propan-1-ol (PubChem CID 57166864) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-(4-phenylphenoxy)propan-1-ol.

Molecular Properties

Compound Name(2S)-2-(4-phenylphenoxy)propan-1-ol
PubChem CID57166864
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-(4-phenylphenoxy)propan-1-ol
SMILESC[C@@H](CO)Oc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O2/c1-12(11-16)17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/t12-/m0/s1
InChIKeyMWCMUCQKTIZURT-LBPRGKRZSA-N
XLogP3.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-phenylphenoxy)propan-1-ol?
The IUPAC name of (2S)-2-(4-phenylphenoxy)propan-1-ol (CID 57166864) is (2S)-2-(4-phenylphenoxy)propan-1-ol.
What is the SMILES notation for (2S)-2-(4-phenylphenoxy)propan-1-ol?
The canonical SMILES for (2S)-2-(4-phenylphenoxy)propan-1-ol is C[C@@H](CO)Oc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-phenylphenoxy)propan-1-ol?
The InChIKey is MWCMUCQKTIZURT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16O2/c1-12(11-16)17-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(4-phenylphenoxy)propan-1-ol?
(2S)-2-(4-phenylphenoxy)propan-1-ol has a molecular weight of 228.29 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-phenylphenoxy)propan-1-ol is sourced from PubChem (CID 57166864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).