(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol

C18H21ClO — CID 115484494

IUPAC(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(C)c(C)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClO/c1-10-6-13(4)17(14(5)7-10)18(20)15-8-11(2)12(3)9-16(15)19/h6-9,18,20H,1-5H3
InChIKeyXQGKEEPTCDCMQM-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.96
Rot. Bonds2

About (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol

(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol (PubChem CID 115484494) has the molecular formula C18H21ClO and a molecular weight of 288.82 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
PubChem CID115484494
Molecular FormulaC18H21ClO
Molecular Weight288.82 g/mol
Exact Mass288.13
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
SMILESCc1cc(C)c(C(O)c2cc(C)c(C)cc2Cl)c(C)c1
InChIInChI=1S/C18H21ClO/c1-10-6-13(4)17(14(5)7-10)18(20)15-8-11(2)12(3)9-16(15)19/h6-9,18,20H,1-5H3
InChIKeyXQGKEEPTCDCMQM-UHFFFAOYSA-N
XLogP4.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-methylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 82883722
(2,5-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106884176
(2-chloro-4,5-dimethylphenyl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107964349
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(2-chloro-4,5-dimethylphenyl)-(2-methylfuran-3-yl)methanol
CID 115484595
(2-chloro-4,5-dimethylphenyl)-(2-methylsulfanylphenyl)methanol
CID 115484546
(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574
(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(5-bromothiophen-2-yl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484547
(2-tert-butylphenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484576

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol (CID 115484494) is (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol is Cc1cc(C)c(C(O)c2cc(C)c(C)cc2Cl)c(C)c1.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol?
The InChIKey is XQGKEEPTCDCMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClO/c1-10-6-13(4)17(14(5)7-10)18(20)15-8-11(2)12(3)9-16(15)19/h6-9,18,20H,1-5H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol has a molecular weight of 288.82 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol is sourced from PubChem (CID 115484494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).