(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol

C19H25NO — CID 143290825

IUPAC(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol
SMILESCC1C=CC(C(O)(c2ccccc2)C2CCCN2C)=CC1
InChIInChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)19(21,16-7-4-3-5-8-16)18-9-6-14-20(18)2/h3-5,7-8,10,12-13,15,18,21H,6,9,11,14H2,1-2H3
InChIKeyBJWGRZKOTYCLSW-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.49
Rot. Bonds3

About (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol

(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol (PubChem CID 143290825) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol.

Molecular Properties

Compound Name(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol
PubChem CID143290825
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol
SMILESCC1C=CC(C(O)(c2ccccc2)C2CCCN2C)=CC1
InChIInChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)19(21,16-7-4-3-5-8-16)18-9-6-14-20(18)2/h3-5,7-8,10,12-13,15,18,21H,6,9,11,14H2,1-2H3
InChIKeyBJWGRZKOTYCLSW-UHFFFAOYSA-N
XLogP3.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-methylaziridin-2-yl]-diphenylmethanol
CID 101268186
[(2S)-1-dimethoxyphosphorylpyrrolidin-2-yl]-diphenylmethanol
CID 10642322
1-[2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 3615185
[cyclohexa-1,3-dien-1-yl-(4-methylcyclohexa-1,5-dien-1-yl)-phenylmethyl]benzene
CID 91587028
(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-sulfonic acid
CID 71426341
1-methyl-7-phenyl-3,4,4a,5,8,8a-hexahydro-2H-quinoline
CID 59969604
diphenyl-(1-pyridin-4-ylpyrrolidin-2-yl)methanol
CID 165347320
(R)-cyclohexyl-[5-[(2S)-1-methylpyrrolidin-2-yl]furan-2-yl]-phenylmethanol
CID 44627854
1-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-2-phenylpropan-2-ol
CID 79318601
1-[(2R)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]prop-2-en-1-one
CID 166414441
(1R)-2-methyl-1-[(2S)-1-methylpyrrolidin-2-yl]-2-phenylpropan-1-ol
CID 170366184
(2S)-2-[(2S)-2-[hydroxy(diphenyl)methyl]pyrrolidin-1-yl]-2-phenylacetonitrile
CID 71613979

Frequently Asked Questions

What is the IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol?
The IUPAC name of (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol (CID 143290825) is (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol.
What is the SMILES notation for (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol?
The canonical SMILES for (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol is CC1C=CC(C(O)(c2ccccc2)C2CCCN2C)=CC1.
What is the InChIKey of (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol?
The InChIKey is BJWGRZKOTYCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-15-10-12-17(13-11-15)19(21,16-7-4-3-5-8-16)18-9-6-14-20(18)2/h3-5,7-8,10,12-13,15,18,21H,6,9,11,14H2,1-2H3.
What are the key properties of (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol?
(4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol has a molecular weight of 283.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylcyclohexa-1,5-dien-1-yl)-(1-methylpyrrolidin-2-yl)-phenylmethanol is sourced from PubChem (CID 143290825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).