2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol

C19H22O2 — CID 62919178

IUPAC2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22O2/c1-2-11-21-18-8-4-7-16(13-18)19(20)17-10-9-14-5-3-6-15(14)12-17/h4,7-10,12-13,19-20H,2-3,5-6,11H2,1H3
InChIKeyIWRGDEQYOBNBAA-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.05
Rot. Bonds5

About 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol

2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol (PubChem CID 62919178) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
PubChem CID62919178
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol
SMILESCCCOc1cccc(C(O)c2ccc3c(c2)CCC3)c1
InChIInChI=1S/C19H22O2/c1-2-11-21-18-8-4-7-16(13-18)19(20)17-10-9-14-5-3-6-15(14)12-17/h4,7-10,12-13,19-20H,2-3,5-6,11H2,1H3
InChIKeyIWRGDEQYOBNBAA-UHFFFAOYSA-N
XLogP4.05
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(5-propoxy-3-pyridinyl)methanol
CID 115829169
(3-propoxyphenyl)-(4-propylphenyl)methanol
CID 62919013
(3-aminophenyl)-(2,3-dihydro-1H-inden-5-yl)methanol
CID 114194374
2,3-dihydro-1H-inden-5-yl-(3-iodophenyl)methanol
CID 61088523
2-amino-2-methyl-1-(3-propoxyphenyl)propan-1-ol
CID 66039535
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
(2-ethoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894023
(2-methoxyphenyl)-(3-propoxyphenyl)methanol
CID 63894602
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
2-cyclopentyl-1-(3-propoxyphenyl)ethanol
CID 65146182
(3-methylthiophen-2-yl)-(3-propoxyphenyl)methanol
CID 55132743
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol (CID 62919178) is 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol is CCCOc1cccc(C(O)c2ccc3c(c2)CCC3)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol?
The InChIKey is IWRGDEQYOBNBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-2-11-21-18-8-4-7-16(13-18)19(20)17-10-9-14-5-3-6-15(14)12-17/h4,7-10,12-13,19-20H,2-3,5-6,11H2,1H3.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol?
2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol has a molecular weight of 282.38 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-(3-propoxyphenyl)methanol is sourced from PubChem (CID 62919178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).