(3-tert-butyl-2-chloro-5-methylphenyl)methanol

C12H17ClO — CID 170078699

IUPAC(3-tert-butyl-2-chloro-5-methylphenyl)methanol
SMILESCc1cc(CO)c(Cl)c(C(C)(C)C)c1
InChIInChI=1S/C12H17ClO/c1-8-5-9(7-14)11(13)10(6-8)12(2,3)4/h5-6,14H,7H2,1-4H3
InChIKeyKQLAPDRVRSTOKT-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.44
Rot. Bonds1

About (3-tert-butyl-2-chloro-5-methylphenyl)methanol

(3-tert-butyl-2-chloro-5-methylphenyl)methanol (PubChem CID 170078699) has the molecular formula C12H17ClO and a molecular weight of 212.72 g/mol. Its IUPAC name is (3-tert-butyl-2-chloro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(3-tert-butyl-2-chloro-5-methylphenyl)methanol
PubChem CID170078699
Molecular FormulaC12H17ClO
Molecular Weight212.72 g/mol
Exact Mass212.10
IUPAC Name(3-tert-butyl-2-chloro-5-methylphenyl)methanol
SMILESCc1cc(CO)c(Cl)c(C(C)(C)C)c1
InChIInChI=1S/C12H17ClO/c1-8-5-9(7-14)11(13)10(6-8)12(2,3)4/h5-6,14H,7H2,1-4H3
InChIKeyKQLAPDRVRSTOKT-UHFFFAOYSA-N
XLogP3.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-2-chloro-5-methylphenyl)methanol?
The IUPAC name of (3-tert-butyl-2-chloro-5-methylphenyl)methanol (CID 170078699) is (3-tert-butyl-2-chloro-5-methylphenyl)methanol.
What is the SMILES notation for (3-tert-butyl-2-chloro-5-methylphenyl)methanol?
The canonical SMILES for (3-tert-butyl-2-chloro-5-methylphenyl)methanol is Cc1cc(CO)c(Cl)c(C(C)(C)C)c1.
What is the InChIKey of (3-tert-butyl-2-chloro-5-methylphenyl)methanol?
The InChIKey is KQLAPDRVRSTOKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClO/c1-8-5-9(7-14)11(13)10(6-8)12(2,3)4/h5-6,14H,7H2,1-4H3.
What are the key properties of (3-tert-butyl-2-chloro-5-methylphenyl)methanol?
(3-tert-butyl-2-chloro-5-methylphenyl)methanol has a molecular weight of 212.72 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-2-chloro-5-methylphenyl)methanol is sourced from PubChem (CID 170078699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).