1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol

C18H19BrO2 — CID 65447392

IUPAC1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
SMILESOC(CCc1ccc2c(c1)CCO2)Cc1cccc(Br)c1
InChIInChI=1S/C18H19BrO2/c19-16-3-1-2-14(11-16)12-17(20)6-4-13-5-7-18-15(10-13)8-9-21-18/h1-3,5,7,10-11,17,20H,4,6,8-9,12H2
InChIKeyAYYCJLJVCCRYSD-UHFFFAOYSA-N
MW347.25 g/mol
LogP3.92
Rot. Bonds5

About 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol

1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol (PubChem CID 65447392) has the molecular formula C18H19BrO2 and a molecular weight of 347.25 g/mol. Its IUPAC name is 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol.

Molecular Properties

Compound Name1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
PubChem CID65447392
Molecular FormulaC18H19BrO2
Molecular Weight347.25 g/mol
Exact Mass346.06
IUPAC Name1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol
SMILESOC(CCc1ccc2c(c1)CCO2)Cc1cccc(Br)c1
InChIInChI=1S/C18H19BrO2/c19-16-3-1-2-14(11-16)12-17(20)6-4-13-5-7-18-15(10-13)8-9-21-18/h1-3,5,7,10-11,17,20H,4,6,8-9,12H2
InChIKeyAYYCJLJVCCRYSD-UHFFFAOYSA-N
XLogP3.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.25
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-3-ylpentan-3-ol
CID 105101240
4-(2,3-dihydro-1-benzofuran-5-yl)-1-ethylsulfanylbutan-2-ol
CID 65446454
1-(2,3-dihydro-1-benzofuran-5-yl)-5-pyridin-4-ylpentan-3-ol
CID 105101130
1-[(3-bromophenyl)methyl]-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]urea
CID 86952368
4-(2,3-dihydro-1-benzofuran-5-yl)-1-propylsulfanylbutan-2-ol
CID 65446456
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
1-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)-6-methoxy-5-methylhexan-3-ol
CID 105101212
6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145
5-(3-bromo-3-phenylpropyl)-2,3-dihydro-1-benzofuran
CID 104544411
1-(2,3-dihydro-1-benzofuran-5-yl)-5-(2-methoxyethoxy)pentan-3-ol
CID 102927687
2-(2,3-dihydro-1-benzofuran-5-yl)-1-hydroxyethanesulfonic acid
CID 59816088

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The IUPAC name of 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol (CID 65447392) is 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol.
What is the SMILES notation for 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The canonical SMILES for 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol is OC(CCc1ccc2c(c1)CCO2)Cc1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
The InChIKey is AYYCJLJVCCRYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrO2/c19-16-3-1-2-14(11-16)12-17(20)6-4-13-5-7-18-15(10-13)8-9-21-18/h1-3,5,7,10-11,17,20H,4,6,8-9,12H2.
What are the key properties of 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol?
1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol has a molecular weight of 347.25 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-4-(2,3-dihydro-1-benzofuran-5-yl)butan-2-ol is sourced from PubChem (CID 65447392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).