3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol

C19H22O2 — CID 65445470

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H22O2/c1-13-9-14(2)11-17(10-13)18(20)5-3-15-4-6-19-16(12-15)7-8-21-19/h4,6,9-12,18,20H,3,5,7-8H2,1-2H3
InChIKeyAWQDTEJYGOMWGI-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.90
Rot. Bonds4

About 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol (PubChem CID 65445470) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
PubChem CID65445470
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol
SMILESCc1cc(C)cc(C(O)CCc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H22O2/c1-13-9-14(2)11-17(10-13)18(20)5-3-15-4-6-19-16(12-15)7-8-21-19/h4,6,9-12,18,20H,3,5,7-8H2,1-2H3
InChIKeyAWQDTEJYGOMWGI-UHFFFAOYSA-N
XLogP3.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,4-dimethylphenyl)propan-1-ol
CID 65447174
3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 65446224
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
1-(5-bromofuran-2-yl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-ol
CID 65445840
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
4-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methylphenyl)butan-2-amine
CID 65446280
1-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105125169
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-(3,5-dibromophenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 107975539
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(3-bromo-4-methylphenyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propan-1-amine
CID 115864516

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol (CID 65445470) is 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol is Cc1cc(C)cc(C(O)CCc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol?
The InChIKey is AWQDTEJYGOMWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13-9-14(2)11-17(10-13)18(20)5-3-15-4-6-19-16(12-15)7-8-21-19/h4,6,9-12,18,20H,3,5,7-8H2,1-2H3.
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol?
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3,5-dimethylphenyl)propan-1-ol is sourced from PubChem (CID 65445470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).