8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene

C16H15ClO — CID 165370307

IUPAC8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc2c(c(OCc3ccccc3)c1)C(Cl)C2
InChIInChI=1S/C16H15ClO/c1-11-7-13-9-14(17)16(13)15(8-11)18-10-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyUGRYKDCVQPRXPQ-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.41
Rot. Bonds3

About 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene

8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 165370307) has the molecular formula C16H15ClO and a molecular weight of 258.75 g/mol. Its IUPAC name is 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID165370307
Molecular FormulaC16H15ClO
Molecular Weight258.75 g/mol
Exact Mass258.08
IUPAC Name8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCc1cc2c(c(OCc3ccccc3)c1)C(Cl)C2
InChIInChI=1S/C16H15ClO/c1-11-7-13-9-14(17)16(13)15(8-11)18-10-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3
InChIKeyUGRYKDCVQPRXPQ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-7-phenylmethoxy-1,3-dihydro-2-benzothiophen-1-ol
CID 118119184
2,3,6,7,10,11-hexakis(phenylmethoxy)triphenylene
CID 11040205
1-iodo-4-methyl-2-phenylmethoxybenzene
CID 134208884
N-chloro-4-methyl-2-phenylmethoxyaniline
CID 87749280
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
1-(5-methyl-2-phenylmethoxyphenoxy)cyclopropane-1-carboxylic acid
CID 154940980
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
5-methyl-3-phenylmethoxy-2-[(E)-3-phenylprop-2-enyl]phenol
CID 163442427
1-[(3,5-dimethylphenyl)methyl]-2,3-dimethyl-8-phenylmethoxyimidazo[1,2-a]pyridin-1-ium chloride
CID 18945060
2-(3-chloro-4-phenylmethoxyphenyl)propan-2-amine
CID 117441509
2-chloro-4-(methoxymethyl)-1-phenylmethoxybenzene
CID 146035474

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene (CID 165370307) is 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene is Cc1cc2c(c(OCc3ccccc3)c1)C(Cl)C2.
What is the InChIKey of 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is UGRYKDCVQPRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClO/c1-11-7-13-9-14(17)16(13)15(8-11)18-10-12-5-3-2-4-6-12/h2-8,14H,9-10H2,1H3.
What are the key properties of 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene?
8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 258.75 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-methyl-2-phenylmethoxybicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 165370307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).