2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol

C14H19BrO2 — CID 106931287

IUPAC2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
SMILESOCC(COCC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrO2/c15-14-5-3-11(4-6-14)7-13(8-16)10-17-9-12-1-2-12/h3-6,12-13,16H,1-2,7-10H2
InChIKeyOXWKOVJVROHJLG-UHFFFAOYSA-N
MW299.21 g/mol
LogP3.03
Rot. Bonds7

About 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol

2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol (PubChem CID 106931287) has the molecular formula C14H19BrO2 and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
PubChem CID106931287
Molecular FormulaC14H19BrO2
Molecular Weight299.21 g/mol
Exact Mass298.06
IUPAC Name2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol
SMILESOCC(COCC1CC1)Cc1ccc(Br)cc1
InChIInChI=1S/C14H19BrO2/c15-14-5-3-11(4-6-14)7-13(8-16)10-17-9-12-1-2-12/h3-6,12-13,16H,1-2,7-10H2
InChIKeyOXWKOVJVROHJLG-UHFFFAOYSA-N
XLogP3.03
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propyl]cyclopropanamine
CID 106930639
(2S)-3-(4-bromophenyl)-2-(cyclopropylmethoxy)propanoic acid
CID 68527920
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propan-2-ylpropan-1-amine
CID 106930625
2-[(4-bromophenyl)methyl]-4-(3-methoxypropoxy)butan-1-ol
CID 103184943
2-(cyclopropylmethoxymethyl)-3-(4-fluorophenyl)-N-propylpropan-1-amine
CID 106930624
2-[(4-bromophenyl)methyl]-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pentan-1-ol
CID 89289925
2-[(4-bromophenyl)methyl]hexan-1-ol
CID 66059467
2-[(2-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine
CID 106930574
1-(3-bromophenyl)-3-(cyclopropylmethoxy)propan-2-amine
CID 106931250
2-[(4-chlorophenyl)methyl]-3-(cyclopropylmethoxy)propanoic acid
CID 106930009
N-[(4-bromophenyl)methyl]-2-(cyclopropylmethoxy)ethanamine;hydrochloride
CID 115618403
2-[(4-bromophenyl)methyl]-3-(4-bromothiophen-2-yl)propan-1-ol
CID 66057797

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol (CID 106931287) is 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol is OCC(COCC1CC1)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol?
The InChIKey is OXWKOVJVROHJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO2/c15-14-5-3-11(4-6-14)7-13(8-16)10-17-9-12-1-2-12/h3-6,12-13,16H,1-2,7-10H2.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol?
2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol has a molecular weight of 299.21 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(cyclopropylmethoxy)propan-1-ol is sourced from PubChem (CID 106931287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).