[1-(3-bromophenyl)cyclopropyl]methanol

C10H11BrO — CID 23176621

IUPAC[1-(3-bromophenyl)cyclopropyl]methanol
SMILESOCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H11BrO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2
InChIKeyCDIOPADYQGYOTP-UHFFFAOYSA-N
MW227.10 g/mol
LogP2.47
Rot. Bonds2

About [1-(3-bromophenyl)cyclopropyl]methanol

[1-(3-bromophenyl)cyclopropyl]methanol (PubChem CID 23176621) has the molecular formula C10H11BrO and a molecular weight of 227.10 g/mol. Its IUPAC name is [1-(3-bromophenyl)cyclopropyl]methanol.

Molecular Properties

Compound Name[1-(3-bromophenyl)cyclopropyl]methanol
PubChem CID23176621
Molecular FormulaC10H11BrO
Molecular Weight227.10 g/mol
Exact Mass226.00
IUPAC Name[1-(3-bromophenyl)cyclopropyl]methanol
SMILESOCC1(c2cccc(Br)c2)CC1
InChIInChI=1S/C10H11BrO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2
InChIKeyCDIOPADYQGYOTP-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.10
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)cyclopropyl]methanol?
The IUPAC name of [1-(3-bromophenyl)cyclopropyl]methanol (CID 23176621) is [1-(3-bromophenyl)cyclopropyl]methanol.
What is the SMILES notation for [1-(3-bromophenyl)cyclopropyl]methanol?
The canonical SMILES for [1-(3-bromophenyl)cyclopropyl]methanol is OCC1(c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromophenyl)cyclopropyl]methanol?
The InChIKey is CDIOPADYQGYOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO/c11-9-3-1-2-8(6-9)10(7-12)4-5-10/h1-3,6,12H,4-5,7H2.
What are the key properties of [1-(3-bromophenyl)cyclopropyl]methanol?
[1-(3-bromophenyl)cyclopropyl]methanol has a molecular weight of 227.10 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)cyclopropyl]methanol is sourced from PubChem (CID 23176621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).