1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol

C19H22O2 — CID 79371784

IUPAC1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCc1ccc(CC2(O)CCc3ccc(OC)cc32)cc1
InChIInChI=1S/C19H22O2/c1-3-14-4-6-15(7-5-14)13-19(20)11-10-16-8-9-17(21-2)12-18(16)19/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyOSLKMOUVHQJMHZ-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.63
Rot. Bonds4

About 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol

1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol (PubChem CID 79371784) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
PubChem CID79371784
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
SMILESCCc1ccc(CC2(O)CCc3ccc(OC)cc32)cc1
InChIInChI=1S/C19H22O2/c1-3-14-4-6-15(7-5-14)13-19(20)11-10-16-8-9-17(21-2)12-18(16)19/h4-9,12,20H,3,10-11,13H2,1-2H3
InChIKeyOSLKMOUVHQJMHZ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methoxy-1-(thiophen-3-ylmethyl)-2,3-dihydroinden-1-ol
CID 79374000
6-methoxy-1-(methoxymethyl)-2,3-dihydroinden-1-ol
CID 79568236
1-hexyl-6-methoxy-2,3-dihydroinden-1-ol
CID 79375059
6-methoxy-1-(1,3-thiazol-5-ylmethyl)-2,3-dihydroinden-1-ol
CID 112642015
6-methoxy-1-(2-phenylethyl)-2,3-dihydroinden-1-ol
CID 79374356
6-methoxy-1-(propylaminomethyl)-2,3-dihydroinden-1-ol
CID 79368954
6-methoxy-1-[(propan-2-ylamino)methyl]-2,3-dihydroinden-1-ol
CID 79368955
1-[(4-bromo-2-fluorophenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol
CID 79371802
1-butyl-7-methoxy-3,4-dihydro-2H-naphthalen-1-ol
CID 102290359
6-methoxy-1-pent-4-ynyl-2,3-dihydroinden-1-ol
CID 113374241
1-(2-ethylhexyl)-6-methoxy-2,3-dihydroinden-1-ol
CID 79374993
6-methoxy-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]-2,3-dihydroinden-1-ol
CID 79371787

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol (CID 79371784) is 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol is CCc1ccc(CC2(O)CCc3ccc(OC)cc32)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol?
The InChIKey is OSLKMOUVHQJMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-3-14-4-6-15(7-5-14)13-19(20)11-10-16-8-9-17(21-2)12-18(16)19/h4-9,12,20H,3,10-11,13H2,1-2H3.
What are the key properties of 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol?
1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol has a molecular weight of 282.38 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-6-methoxy-2,3-dihydroinden-1-ol is sourced from PubChem (CID 79371784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).