(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol

C18H21ClO2 — CID 78944255

IUPAC(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
SMILESCC(C)c1ccc(COc2ccc(Cl)cc2[C@H](C)O)cc1
InChIInChI=1S/C18H21ClO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-9-8-16(19)10-17(18)13(3)20/h4-10,12-13,20H,11H2,1-3H3/t13-/m0/s1
InChIKeyKBTGNXHGEUOVIC-ZDUSSCGKSA-N
MW304.82 g/mol
LogP5.10
Rot. Bonds5

About (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol (PubChem CID 78944255) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
PubChem CID78944255
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol
SMILESCC(C)c1ccc(COc2ccc(Cl)cc2[C@H](C)O)cc1
InChIInChI=1S/C18H21ClO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-9-8-16(19)10-17(18)13(3)20/h4-10,12-13,20H,11H2,1-3H3/t13-/m0/s1
InChIKeyKBTGNXHGEUOVIC-ZDUSSCGKSA-N
XLogP5.10
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[5-chloro-2-[(4-iodophenyl)methoxy]phenyl]ethanol
CID 79009046
1-[5-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]ethanol
CID 82918483
(1S)-1-[5-chloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanol
CID 103038370
(1R)-1-[5-chloro-2-[(3-chlorophenyl)methoxy]phenyl]ethanol
CID 63364382
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1R)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 78931221
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
(1R)-1-(5-chloro-2-propoxyphenyl)ethanol
CID 63364392
1-[4-chloro-2-[(1R)-1-hydroxyethyl]phenoxy]-3-methylbutan-2-ol
CID 114249646
1-[5-chloro-2-[(4-ethylphenyl)methoxy]phenyl]ethanamine
CID 62073872
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78931561
(1R)-1-[5-chloro-2-[(3-nitrophenyl)methoxy]phenyl]ethanol
CID 63364333

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol (CID 78944255) is (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol is CC(C)c1ccc(COc2ccc(Cl)cc2[C@H](C)O)cc1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol?
The InChIKey is KBTGNXHGEUOVIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-12(2)15-6-4-14(5-7-15)11-21-18-9-8-16(19)10-17(18)13(3)20/h4-10,12-13,20H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol has a molecular weight of 304.82 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-chloro-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78944255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).