cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol

C23H31ClO2 — CID 143902617

IUPACcis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol
SMILESCCCCCCC[C@H]1C(Cl)C[C@@H](O)C1COc1ccc2ccccc2c1
InChIInChI=1S/C23H31ClO2/c1-2-3-4-5-6-11-20-21(23(25)15-22(20)24)16-26-19-13-12-17-9-7-8-10-18(17)14-19/h7-10,12-14,20-23,25H,2-6,11,15-16H2,1H3/t20-,21?,22?,23-/m1/s1
InChIKeyZOTPOCUAECEDGL-WYZYGFAWSA-N
MW374.95 g/mol
LogP6.18
Rot. Bonds9

About cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol

cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol (PubChem CID 143902617) has the molecular formula C23H31ClO2 and a molecular weight of 374.95 g/mol. Its IUPAC name is cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol
PubChem CID143902617
Molecular FormulaC23H31ClO2
Molecular Weight374.95 g/mol
Exact Mass374.20
IUPAC Namecis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol
SMILESCCCCCCC[C@H]1C(Cl)C[C@@H](O)C1COc1ccc2ccccc2c1
InChIInChI=1S/C23H31ClO2/c1-2-3-4-5-6-11-20-21(23(25)15-22(20)24)16-26-19-13-12-17-9-7-8-10-18(17)14-19/h7-10,12-14,20-23,25H,2-6,11,15-16H2,1H3/t20-,21?,22?,23-/m1/s1
InChIKeyZOTPOCUAECEDGL-WYZYGFAWSA-N
XLogP6.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.95
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[3-[5-chloro-3-hydroxy-2-[(3-propylphenoxy)methyl]cyclopentyl]propyl]thiophene-2-carboxylic acid
CID 74375988
(1R,2R,3R,4R)-4-chloro-2-pentyl-3-(3-thiophen-2-ylpropyl)cyclopentan-1-ol
CID 141316963
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
2-ethoxynaphthalene
CID 118978197
5-[3-[(1R,3R)-5-chloro-3-hydroxy-2-nonylcyclopentyl]propyl]thiophene-2-carboxylic acid
CID 89187647
2-(3-chloro-2-propoxycyclobutyl)oxynaphthalene
CID 107942743
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
naphthalen-2-yl 4-hexoxybenzoate
CID 23011426
6-octadecoxynaphthalene-2-carboxylic acid
CID 71245003
(4-hexylcyclohexyl)methoxybenzene
CID 57019623
propan-2-yl 5-[3-[(1R,3R)-5-chloro-3-hydroxy-2-octylcyclopentyl]propyl]-2,3-dihydrothiophene-2-carboxylate
CID 89190435

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol (CID 143902617) is cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol is CCCCCCC[C@H]1C(Cl)C[C@@H](O)C1COc1ccc2ccccc2c1.
What is the InChIKey of cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol?
The InChIKey is ZOTPOCUAECEDGL-WYZYGFAWSA-N. The full InChI is InChI=1S/C23H31ClO2/c1-2-3-4-5-6-11-20-21(23(25)15-22(20)24)16-26-19-13-12-17-9-7-8-10-18(17)14-19/h7-10,12-14,20-23,25H,2-6,11,15-16H2,1H3/t20-,21?,22?,23-/m1/s1.
What are the key properties of cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol?
cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol has a molecular weight of 374.95 g/mol, XLogP of 6.18, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-4-chloro-3-heptyl-2-(naphthalen-2-yloxymethyl)cyclopentan-1-ol is sourced from PubChem (CID 143902617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).