1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene

C16H15BrO — CID 166449859

IUPAC1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene
SMILESBrc1ccccc1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H15BrO/c17-16-4-2-1-3-15(16)13-7-9-14(10-8-13)18-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2
InChIKeyNSFGJIPTROZQHS-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.90
Rot. Bonds4

About 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene

1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene (PubChem CID 166449859) has the molecular formula C16H15BrO and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene.

Molecular Properties

Compound Name1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene
PubChem CID166449859
Molecular FormulaC16H15BrO
Molecular Weight303.20 g/mol
Exact Mass302.03
IUPAC Name1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene
SMILESBrc1ccccc1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C16H15BrO/c17-16-4-2-1-3-15(16)13-7-9-14(10-8-13)18-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2
InChIKeyNSFGJIPTROZQHS-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene?
The IUPAC name of 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene (CID 166449859) is 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene.
What is the SMILES notation for 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene?
The canonical SMILES for 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene is Brc1ccccc1-c1ccc(OCC2CC2)cc1.
What is the InChIKey of 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene?
The InChIKey is NSFGJIPTROZQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrO/c17-16-4-2-1-3-15(16)13-7-9-14(10-8-13)18-11-12-5-6-12/h1-4,7-10,12H,5-6,11H2.
What are the key properties of 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene?
1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene has a molecular weight of 303.20 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[4-(cyclopropylmethoxy)phenyl]benzene is sourced from PubChem (CID 166449859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).