(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol

C17H19ClO2 — CID 78931561

IUPAC(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2[C@H](C)O)c1
InChIInChI=1S/C17H19ClO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1
InChIKeyLRYRJTQCVFJWTF-ZDUSSCGKSA-N
MW290.79 g/mol
LogP4.59
Rot. Bonds4

About (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol

(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol (PubChem CID 78931561) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
PubChem CID78931561
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
SMILESCc1ccc(C)c(COc2ccc(Cl)cc2[C@H](C)O)c1
InChIInChI=1S/C17H19ClO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1
InChIKeyLRYRJTQCVFJWTF-ZDUSSCGKSA-N
XLogP4.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,5-dimethylphenyl)methoxy]-5-methylphenyl]ethanol
CID 61481674
(1S)-1-[5-chloro-2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanol
CID 63364418
(1S)-1-[5-bromo-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 78944614
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol
CID 63364801
(1S)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]ethanol
CID 78944605
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanol
CID 106864318
[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]methanol
CID 61482150
1-[5-chloro-2-[(3-methylphenyl)methoxy]phenyl]ethanol
CID 55031626
(1S)-1-[2-[(5-chloro-2-fluorophenyl)methoxy]-4-methylphenyl]ethanol
CID 103046969
(1R)-1-[2-[(2,3-dichlorophenyl)methoxy]-5-methylphenyl]ethanol
CID 107306824
(1R)-1-[2-[(2,5-dimethylphenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002762
(1R)-1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanol
CID 103954685

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The IUPAC name of (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol (CID 78931561) is (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The canonical SMILES for (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol is Cc1ccc(C)c(COc2ccc(Cl)cc2[C@H](C)O)c1.
What is the InChIKey of (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
The InChIKey is LRYRJTQCVFJWTF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19ClO2/c1-11-4-5-12(2)14(8-11)10-20-17-7-6-15(18)9-16(17)13(3)19/h4-9,13,19H,10H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol?
(1S)-1-[5-chloro-2-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol has a molecular weight of 290.79 g/mol, XLogP of 4.59, 4 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-[(2,5-dimethylphenyl)methoxy]phenyl]ethanol is sourced from PubChem (CID 78931561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).