(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol

C18H21ClO2 — CID 104546182

IUPAC(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H21ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11,17,20H,1-4H3
InChIKeyCMPFDZYIKWHHRF-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.73
Rot. Bonds3

About (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol

(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol (PubChem CID 104546182) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol.

Molecular Properties

Compound Name(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
PubChem CID104546182
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol
SMILESCOc1ccc(Cl)cc1C(O)c1ccccc1C(C)(C)C
InChIInChI=1S/C18H21ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11,17,20H,1-4H3
InChIKeyCMPFDZYIKWHHRF-UHFFFAOYSA-N
XLogP4.73
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(2-tert-butylphenyl)-(2-chlorophenyl)methanol
CID 114980515
(5-chloro-2-methoxyphenyl)-(2,4,5-trifluorophenyl)methanol
CID 103303352
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576
(5-chloro-2-fluorophenyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 61087442
(4-aminophenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 106695594
(5-chloro-2-methoxyphenyl)-[4-(difluoromethyl)phenyl]methanol
CID 115525000
(5-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 63896012
(2-tert-butylphenyl)-phenylmethanol
CID 19438357
(2-tert-butylphenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397590
(1S,2R)-1-amino-1-(5-chloro-2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171271304
(4-bromo-2-methylphenyl)-(5-chloro-2-methoxyphenyl)methanol
CID 104546259

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The IUPAC name of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol (CID 104546182) is (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol.
What is the SMILES notation for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The canonical SMILES for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol is COc1ccc(Cl)cc1C(O)c1ccccc1C(C)(C)C.
What is the InChIKey of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
The InChIKey is CMPFDZYIKWHHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-18(2,3)15-8-6-5-7-13(15)17(20)14-11-12(19)9-10-16(14)21-4/h5-11,17,20H,1-4H3.
What are the key properties of (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol?
(2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol has a molecular weight of 304.82 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylphenyl)-(5-chloro-2-methoxyphenyl)methanol is sourced from PubChem (CID 104546182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).