2-tert-butyl-5-chloro-4-methoxyphenol

C11H15ClO2 — CID 134599266

IUPAC2-tert-butyl-5-chloro-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-11(2,3)7-5-10(14-4)8(12)6-9(7)13/h5-6,13H,1-4H3
InChIKeyMXCKNDADIFSNLC-UHFFFAOYSA-N
MW214.69 g/mol
LogP3.35
Rot. Bonds1

About 2-tert-butyl-5-chloro-4-methoxyphenol

2-tert-butyl-5-chloro-4-methoxyphenol (PubChem CID 134599266) has the molecular formula C11H15ClO2 and a molecular weight of 214.69 g/mol. Its IUPAC name is 2-tert-butyl-5-chloro-4-methoxyphenol.

Molecular Properties

Compound Name2-tert-butyl-5-chloro-4-methoxyphenol
PubChem CID134599266
Molecular FormulaC11H15ClO2
Molecular Weight214.69 g/mol
Exact Mass214.08
IUPAC Name2-tert-butyl-5-chloro-4-methoxyphenol
SMILESCOc1cc(C(C)(C)C)c(O)cc1Cl
InChIInChI=1S/C11H15ClO2/c1-11(2,3)7-5-10(14-4)8(12)6-9(7)13/h5-6,13H,1-4H3
InChIKeyMXCKNDADIFSNLC-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
5-chloro-2-fluoro-4-methoxyphenol
CID 84655771
2-bromo-5-chloro-4-methoxyphenol
CID 84700319
5-tert-butyl-2-(2-iodopropan-2-yl)-4-methoxyphenol
CID 126635060
2-(2,5-dichloro-4-methoxyphenyl)propan-2-ol
CID 84698274
4-chloro-5-methoxy-2-methylphenol
CID 21341377
5-(1-aminocyclopropyl)-2-tert-butyl-4-methoxyphenol
CID 117342981
2-tert-butyl-4-methoxy-5-[2-(methylamino)ethyl]phenol
CID 117347696
2-(2-chloro-4,5-dimethoxyphenyl)propan-2-ol
CID 84694057
4-chloro-2-fluoro-5-methoxyphenol
CID 91801475
2-tert-butyl-5-chloro-4-(difluoromethyl)phenol
CID 167323133
5-(1-aminocyclobutyl)-2-tert-butyl-4-methoxyphenol
CID 117377061

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-chloro-4-methoxyphenol?
The IUPAC name of 2-tert-butyl-5-chloro-4-methoxyphenol (CID 134599266) is 2-tert-butyl-5-chloro-4-methoxyphenol.
What is the SMILES notation for 2-tert-butyl-5-chloro-4-methoxyphenol?
The canonical SMILES for 2-tert-butyl-5-chloro-4-methoxyphenol is COc1cc(C(C)(C)C)c(O)cc1Cl.
What is the InChIKey of 2-tert-butyl-5-chloro-4-methoxyphenol?
The InChIKey is MXCKNDADIFSNLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO2/c1-11(2,3)7-5-10(14-4)8(12)6-9(7)13/h5-6,13H,1-4H3.
What are the key properties of 2-tert-butyl-5-chloro-4-methoxyphenol?
2-tert-butyl-5-chloro-4-methoxyphenol has a molecular weight of 214.69 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-chloro-4-methoxyphenol is sourced from PubChem (CID 134599266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).