(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol

C18H21ClO2 — CID 63426444

IUPAC(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21ClO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9,18,20H,1-5H3
InChIKeyVNJLLTMBKSZIGB-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.66
Rot. Bonds3

About (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol

(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol (PubChem CID 63426444) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
PubChem CID63426444
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
SMILESCOc1cc(Cl)ccc1C(O)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H21ClO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9,18,20H,1-5H3
InChIKeyVNJLLTMBKSZIGB-UHFFFAOYSA-N
XLogP4.66
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 ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chloro-2-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115829313
(4-chloro-2-methoxyphenyl)-(2,3-dimethylphenyl)methanol
CID 115791592
(4-chloro-2-methoxyphenyl)-(3-chloro-4-methylphenyl)methanol
CID 107560197
(2-methoxy-5-methylphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 62503375
1-(4-chloro-2-methoxyphenyl)propan-1-ol
CID 115787726
(4-chloro-2-methoxyphenyl)-(3,5-dimethoxyphenyl)methanol
CID 115821652
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol
CID 102884337
(4-chloro-2-methoxyphenyl)-(3-fluoro-5-methylphenyl)methanol
CID 115823109
(4-chloro-2-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanol
CID 106679789
(5-chloro-2-methoxyphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879586
(4-chloro-2-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanol
CID 115793883
1-(4-chloro-2-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 63018032

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The IUPAC name of (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol (CID 63426444) is (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol.
What is the SMILES notation for (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The canonical SMILES for (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol is COc1cc(Cl)ccc1C(O)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol?
The InChIKey is VNJLLTMBKSZIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO2/c1-10-8-11(2)13(4)17(12(10)3)18(20)15-7-6-14(19)9-16(15)21-5/h6-9,18,20H,1-5H3.
What are the key properties of (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol?
(4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol has a molecular weight of 304.82 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanol is sourced from PubChem (CID 63426444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).