4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol

C15H23ClO2 — CID 82366989

IUPAC4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(Cl)CCCO
InChIInChI=1S/C15H23ClO2/c1-15(2,3)11-7-8-14(18-4)12(10-11)13(16)6-5-9-17/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyATQVRNFWISKUON-UHFFFAOYSA-N
MW270.80 g/mol
LogP4.05
Rot. Bonds5

About 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol

4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol (PubChem CID 82366989) has the molecular formula C15H23ClO2 and a molecular weight of 270.80 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol
PubChem CID82366989
Molecular FormulaC15H23ClO2
Molecular Weight270.80 g/mol
Exact Mass270.14
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol
SMILESCOc1ccc(C(C)(C)C)cc1C(Cl)CCCO
InChIInChI=1S/C15H23ClO2/c1-15(2,3)11-7-8-14(18-4)12(10-11)13(16)6-5-9-17/h7-8,10,13,17H,5-6,9H2,1-4H3
InChIKeyATQVRNFWISKUON-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.80
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-tert-butyl-2-methoxyphenyl)-2-chloroethyl]-methylamino]ethanol
CID 82215489
(2R)-2-amino-2-(5-tert-butyl-2-methoxyphenyl)ethanol
CID 66514274
amino-(5-tert-butyl-2-methoxyphenyl)methanethiol
CID 116939444
1-(5-tert-butyl-2-methoxyphenyl)ethanethiol
CID 116866684
2-(1-chloropentyl)-1,4-dimethoxybenzene
CID 61084308
1-(5-tert-butyl-2-methoxyphenyl)-N'-methylbutane-1,4-diamine
CID 116933842
(5-tert-butyl-2-methoxyphenyl)-phenylmethanol
CID 171366960
5-amino-5-(5-tert-butyl-2-methoxyphenyl)pentan-2-one
CID 116940675
2-(1-chlorodecyl)-1-methoxy-4-methylbenzene
CID 65428310
1-(5-tert-butyl-2-methoxyphenyl)-1-hydroxybutan-2-one
CID 116835810
4-(3-tert-butyl-4-methoxyphenyl)pentane-1,4-diol
CID 116861537
1-(5-tert-butyl-2-methoxyphenyl)-N,N-dimethylethanamine
CID 116914596

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol (CID 82366989) is 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol is COc1ccc(C(C)(C)C)cc1C(Cl)CCCO.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol?
The InChIKey is ATQVRNFWISKUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClO2/c1-15(2,3)11-7-8-14(18-4)12(10-11)13(16)6-5-9-17/h7-8,10,13,17H,5-6,9H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol?
4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol has a molecular weight of 270.80 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxyphenyl)-4-chlorobutan-1-ol is sourced from PubChem (CID 82366989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).