1,5-ditert-butyl-3-chloro-2-methoxybenzene

C15H23ClO — CID 154097245

IUPAC1,5-ditert-butyl-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,1-7H3
InChIKeyXJJJYJGIMRRJQJ-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.94
Rot. Bonds1

About 1,5-ditert-butyl-3-chloro-2-methoxybenzene

1,5-ditert-butyl-3-chloro-2-methoxybenzene (PubChem CID 154097245) has the molecular formula C15H23ClO and a molecular weight of 254.80 g/mol. Its IUPAC name is 1,5-ditert-butyl-3-chloro-2-methoxybenzene.

Molecular Properties

Compound Name1,5-ditert-butyl-3-chloro-2-methoxybenzene
PubChem CID154097245
Molecular FormulaC15H23ClO
Molecular Weight254.80 g/mol
Exact Mass254.14
IUPAC Name1,5-ditert-butyl-3-chloro-2-methoxybenzene
SMILESCOc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C15H23ClO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,1-7H3
InChIKeyXJJJYJGIMRRJQJ-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-ditert-butyl-3-iodo-2-methoxybenzene
CID 13068630
2-(5-tert-butyl-3-chloro-2-methoxyphenyl)ethanamine
CID 83899229
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)-N-methoxymethanamine
CID 117398158
1-(5-tert-butyl-3-chloro-2-methoxyphenyl)cyclopropan-1-ol
CID 117390180
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
2,4,6-tris[(3,5-ditert-butyl-2-methoxyphenyl)methyl]-1,3,5-triazine
CID 132609953
4-chloro-2-[(3,5-ditert-butyl-2-methoxyphenyl)diazenyl]aniline
CID 130285815
2-(3,5-dichloro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 82296172
5-chloro-2-(3,5-ditert-butyl-2-methoxyphenyl)benzotriazole
CID 11210958
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
1-tert-butyl-2,3,4,5-tetramethoxybenzene
CID 101460863
(5-tert-butyl-3-chloro-2-methoxyphenyl)-pyrrolidin-1-ylmethanone
CID 50882723

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-3-chloro-2-methoxybenzene?
The IUPAC name of 1,5-ditert-butyl-3-chloro-2-methoxybenzene (CID 154097245) is 1,5-ditert-butyl-3-chloro-2-methoxybenzene.
What is the SMILES notation for 1,5-ditert-butyl-3-chloro-2-methoxybenzene?
The canonical SMILES for 1,5-ditert-butyl-3-chloro-2-methoxybenzene is COc1c(Cl)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1,5-ditert-butyl-3-chloro-2-methoxybenzene?
The InChIKey is XJJJYJGIMRRJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO/c1-14(2,3)10-8-11(15(4,5)6)13(17-7)12(16)9-10/h8-9H,1-7H3.
What are the key properties of 1,5-ditert-butyl-3-chloro-2-methoxybenzene?
1,5-ditert-butyl-3-chloro-2-methoxybenzene has a molecular weight of 254.80 g/mol, XLogP of 4.94, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-3-chloro-2-methoxybenzene is sourced from PubChem (CID 154097245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).