3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol

C19H22O2 — CID 61083091

IUPAC3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C19H22O2/c1-13(2)14-5-7-15(8-6-14)19(20)17-9-10-18-16(12-17)4-3-11-21-18/h5-10,12-13,19-20H,3-4,11H2,1-2H3
InChIKeyBDCUKXSOPKIPLM-UHFFFAOYSA-N
MW282.38 g/mol
LogP4.22
Rot. Bonds3

About 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol

3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol (PubChem CID 61083091) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
PubChem CID61083091
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol
SMILESCC(C)c1ccc(C(O)c2ccc3c(c2)CCCO3)cc1
InChIInChI=1S/C19H22O2/c1-13(2)14-5-7-15(8-6-14)19(20)17-9-10-18-16(12-17)4-3-11-21-18/h5-10,12-13,19-20H,3-4,11H2,1-2H3
InChIKeyBDCUKXSOPKIPLM-UHFFFAOYSA-N
XLogP4.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-chlorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 107955595
3,4-dihydro-2H-chromen-6-yl-(5-iodothiophen-3-yl)methanol
CID 79684302
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)ethanol
CID 82241106
(3-bromo-5-fluorophenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 61080782
2-amino-1-(3,4-dihydro-2H-chromen-6-yl)-2-methylpropan-1-ol
CID 82242253
(2,6-difluoro-3-methylphenyl)-(3,4-dihydro-2H-chromen-6-yl)methanol
CID 82799951
2,3-dihydro-1-benzofuran-5-yl-(3,5-dimethylphenyl)methanol
CID 61099414
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-(3,4-dihydro-2H-chromen-6-yl)propanethial
CID 123536385
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
6-[chloro-(4-chlorophenyl)methyl]-3,4-dihydro-2H-chromene
CID 63434966

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol?
The IUPAC name of 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol (CID 61083091) is 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol.
What is the SMILES notation for 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol?
The canonical SMILES for 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol is CC(C)c1ccc(C(O)c2ccc3c(c2)CCCO3)cc1.
What is the InChIKey of 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol?
The InChIKey is BDCUKXSOPKIPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O2/c1-13(2)14-5-7-15(8-6-14)19(20)17-9-10-18-16(12-17)4-3-11-21-18/h5-10,12-13,19-20H,3-4,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol?
3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol has a molecular weight of 282.38 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-chromen-6-yl-(4-propan-2-ylphenyl)methanol is sourced from PubChem (CID 61083091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).