1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene

C17H19ClO — CID 64765327

IUPAC1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClO/c1-17(2,3)15-9-4-5-10-16(15)19-12-13-7-6-8-14(18)11-13/h4-11H,12H2,1-3H3
InChIKeyPWPWTCKDZHBOPR-UHFFFAOYSA-N
MW274.79 g/mol
LogP5.22
Rot. Bonds3

About 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene

1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene (PubChem CID 64765327) has the molecular formula C17H19ClO and a molecular weight of 274.79 g/mol. Its IUPAC name is 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
PubChem CID64765327
Molecular FormulaC17H19ClO
Molecular Weight274.79 g/mol
Exact Mass274.11
IUPAC Name1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene
SMILESCC(C)(C)c1ccccc1OCc1cccc(Cl)c1
InChIInChI=1S/C17H19ClO/c1-17(2,3)15-9-4-5-10-16(15)19-12-13-7-6-8-14(18)11-13/h4-11H,12H2,1-3H3
InChIKeyPWPWTCKDZHBOPR-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.79
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-tert-butyl-2-[(4-chlorophenyl)methoxy]benzene
CID 19165261
4-[(2-tert-butylphenoxy)methyl]-2-chloro-1-fluorobenzene
CID 103041745
1-tert-butyl-2-phenylmethoxybenzene;formaldehyde
CID 174659745
2-[(3-chlorophenyl)methoxy]phenol
CID 18947333
2-[(2-tert-butylphenoxy)methyl]-4-chloroaniline
CID 79582500
(1S)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 78936371
(1R)-1-[2-[(3-chlorophenyl)methoxy]phenyl]ethanamine
CID 63367090
2-[(3-chlorophenyl)methoxy]-6-methylaniline
CID 43438078
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
1-[4-[(2-tert-butylphenoxy)methyl]phenyl]-N-methylmethanamine
CID 63496953
2-[(2-tert-butylphenoxy)methyl]-1,4-difluorobenzene
CID 64765519
N-[(E)-[2-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-methylmethanamine
CID 110339528

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene?
The IUPAC name of 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene (CID 64765327) is 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene.
What is the SMILES notation for 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene?
The canonical SMILES for 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene is CC(C)(C)c1ccccc1OCc1cccc(Cl)c1.
What is the InChIKey of 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene?
The InChIKey is PWPWTCKDZHBOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClO/c1-17(2,3)15-9-4-5-10-16(15)19-12-13-7-6-8-14(18)11-13/h4-11H,12H2,1-3H3.
What are the key properties of 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene?
1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene has a molecular weight of 274.79 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-[(3-chlorophenyl)methoxy]benzene is sourced from PubChem (CID 64765327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).