6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene

C19H19ClO — CID 68584270

IUPAC6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCc1c(Cl)cc2c(c1OCc1ccccc1)CCC2
InChIInChI=1S/C19H19ClO/c1-2-7-17-18(20)12-15-10-6-11-16(15)19(17)21-13-14-8-4-3-5-9-14/h2-5,8-9,12H,1,6-7,10-11,13H2
InChIKeyDTYYEYWAHJLMEL-UHFFFAOYSA-N
MW298.81 g/mol
LogP5.14
Rot. Bonds5

About 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene

6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene (PubChem CID 68584270) has the molecular formula C19H19ClO and a molecular weight of 298.81 g/mol. Its IUPAC name is 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
PubChem CID68584270
Molecular FormulaC19H19ClO
Molecular Weight298.81 g/mol
Exact Mass298.11
IUPAC Name6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene
SMILESC=CCc1c(Cl)cc2c(c1OCc1ccccc1)CCC2
InChIInChI=1S/C19H19ClO/c1-2-7-17-18(20)12-15-10-6-11-16(15)19(17)21-13-14-8-4-3-5-9-14/h2-5,8-9,12H,1,6-7,10-11,13H2
InChIKeyDTYYEYWAHJLMEL-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.81
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
CID 122657114
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
4-fluoro-6-iodo-5-phenylmethoxy-2,3-dihydro-1H-indene
CID 175348033
2-phenylmethoxy-3-prop-2-enylbenzene-1,4-diamine
CID 163549085
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
5-phenylmethoxy-4-prop-2-enylbenzene-1,3-dicarboxylic acid
CID 11098989
1,5-dichloro-3-(cyclopropylidenemethyl)-2-phenylmethoxybenzene
CID 102467504
4-methoxy-3-phenylmethoxy-2-prop-2-enylbenzaldehyde
CID 15574386
1-(3-chloro-5-methyl-4-phenylmethoxyphenyl)cyclopropan-1-ol
CID 117466511
1-chloro-3-methyl-2-phenylmethoxybenzene
CID 71366901

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene?
The IUPAC name of 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene (CID 68584270) is 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene?
The canonical SMILES for 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene is C=CCc1c(Cl)cc2c(c1OCc1ccccc1)CCC2.
What is the InChIKey of 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene?
The InChIKey is DTYYEYWAHJLMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClO/c1-2-7-17-18(20)12-15-10-6-11-16(15)19(17)21-13-14-8-4-3-5-9-14/h2-5,8-9,12H,1,6-7,10-11,13H2.
What are the key properties of 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene?
6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene has a molecular weight of 298.81 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-phenylmethoxy-5-prop-2-enyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 68584270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).