1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol

C20H23BrO — CID 91106431

IUPAC1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(C(c2ccc(Br)cc2)C2CC2)cc1
InChIInChI=1S/C20H23BrO/c1-20(2,22)13-14-3-5-15(6-4-14)19(16-7-8-16)17-9-11-18(21)12-10-17/h3-6,9-12,16,19,22H,7-8,13H2,1-2H3
InChIKeyWDYCXBNKQDRNPC-UHFFFAOYSA-N
MW359.31 g/mol
LogP5.30
Rot. Bonds5

About 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol

1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol (PubChem CID 91106431) has the molecular formula C20H23BrO and a molecular weight of 359.31 g/mol. Its IUPAC name is 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol
PubChem CID91106431
Molecular FormulaC20H23BrO
Molecular Weight359.31 g/mol
Exact Mass358.09
IUPAC Name1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol
SMILESCC(C)(O)Cc1ccc(C(c2ccc(Br)cc2)C2CC2)cc1
InChIInChI=1S/C20H23BrO/c1-20(2,22)13-14-3-5-15(6-4-14)19(16-7-8-16)17-9-11-18(21)12-10-17/h3-6,9-12,16,19,22H,7-8,13H2,1-2H3
InChIKeyWDYCXBNKQDRNPC-UHFFFAOYSA-N
XLogP5.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol?
The IUPAC name of 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol (CID 91106431) is 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol?
The canonical SMILES for 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol is CC(C)(O)Cc1ccc(C(c2ccc(Br)cc2)C2CC2)cc1.
What is the InChIKey of 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol?
The InChIKey is WDYCXBNKQDRNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrO/c1-20(2,22)13-14-3-5-15(6-4-14)19(16-7-8-16)17-9-11-18(21)12-10-17/h3-6,9-12,16,19,22H,7-8,13H2,1-2H3.
What are the key properties of 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol?
1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol has a molecular weight of 359.31 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-bromophenyl)-cyclopropylmethyl]phenyl]-2-methylpropan-2-ol is sourced from PubChem (CID 91106431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).