(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol

C16H17ClO2 — CID 103960425

IUPAC(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClO2/c1-3-15(18)13-6-4-5-7-16(13)19-12-8-9-14(17)11(2)10-12/h4-10,15,18H,3H2,1-2H3/t15-/m1/s1
InChIKeyAOQRRMBHQJNXIK-OAHLLOKOSA-N
MW276.76 g/mol
LogP4.88
Rot. Bonds4

About (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol

(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol (PubChem CID 103960425) has the molecular formula C16H17ClO2 and a molecular weight of 276.76 g/mol. Its IUPAC name is (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
PubChem CID103960425
Molecular FormulaC16H17ClO2
Molecular Weight276.76 g/mol
Exact Mass276.09
IUPAC Name(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol
SMILESCC[C@@H](O)c1ccccc1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C16H17ClO2/c1-3-15(18)13-6-4-5-7-16(13)19-12-8-9-14(17)11(2)10-12/h4-10,15,18H,3H2,1-2H3/t15-/m1/s1
InChIKeyAOQRRMBHQJNXIK-OAHLLOKOSA-N
XLogP4.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[2-(4-chloro-3-ethylphenoxy)phenyl]propan-1-ol
CID 103960549
1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-amine
CID 112678379
1-[2-(4-chloro-3-methylphenoxy)phenyl]ethanamine
CID 43094702
(1R)-1-[2-(4-ethoxyphenoxy)phenyl]propan-1-ol
CID 103960453
1-[2-(5-chloro-2-methylphenoxy)phenyl]propan-1-ol
CID 112679140
(1S)-1-[2-(4-iodophenoxy)phenyl]propan-1-ol
CID 113359087
(1R)-1-[2-[4-(hydroxymethyl)phenoxy]phenyl]propan-1-ol
CID 103960590
(1R)-1-[2-(2,3-dichlorophenoxy)phenyl]propan-1-ol
CID 103960427
1-chloro-4-(2-methoxyphenoxy)-2-methylbenzene
CID 163498648
1-[2-(4-bromo-2-chlorophenoxy)phenyl]propan-1-ol
CID 112679109
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
(1R)-1-[2-(3,4-dichlorophenoxy)phenyl]propan-1-amine
CID 103959328

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol?
The IUPAC name of (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol (CID 103960425) is (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol.
What is the SMILES notation for (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol?
The canonical SMILES for (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol is CC[C@@H](O)c1ccccc1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol?
The InChIKey is AOQRRMBHQJNXIK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H17ClO2/c1-3-15(18)13-6-4-5-7-16(13)19-12-8-9-14(17)11(2)10-12/h4-10,15,18H,3H2,1-2H3/t15-/m1/s1.
What are the key properties of (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol?
(1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol has a molecular weight of 276.76 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-(4-chloro-3-methylphenoxy)phenyl]propan-1-ol is sourced from PubChem (CID 103960425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).