(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol

C19H15ClO — CID 91678718

IUPAC(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
SMILESOC(c1cccc(Cl)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H15ClO/c20-15-5-1-4-14(11-15)19(21)17-10-9-13-8-7-12-3-2-6-16(17)18(12)13/h1-6,9-11,19,21H,7-8H2
InChIKeyRRDOLZVFJSYPQM-UHFFFAOYSA-N
MW294.78 g/mol
LogP4.67
Rot. Bonds2

About (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol

(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol (PubChem CID 91678718) has the molecular formula C19H15ClO and a molecular weight of 294.78 g/mol. Its IUPAC name is (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol.

Molecular Properties

Compound Name(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
PubChem CID91678718
Molecular FormulaC19H15ClO
Molecular Weight294.78 g/mol
Exact Mass294.08
IUPAC Name(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
SMILESOC(c1cccc(Cl)c1)c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C19H15ClO/c20-15-5-1-4-14(11-15)19(21)17-10-9-13-8-7-12-3-2-6-16(17)18(12)13/h1-6,9-11,19,21H,7-8H2
InChIKeyRRDOLZVFJSYPQM-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-(2-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 99707210
1,2-dihydroacenaphthylen-5-yl-(4-methylphenyl)methanol
CID 91678699
(S)-(3-chlorophenyl)-naphthalen-1-ylmethanol
CID 94549161
(5-bromofuran-2-yl)-(1,2-dihydroacenaphthylen-5-yl)methanol
CID 114939575
5-[chloro-(3-iodophenyl)methyl]-1,2-dihydroacenaphthylene
CID 114939607
1,2-dihydroacenaphthylen-5-yl-(4-methoxythiophen-2-yl)methanol
CID 114939531
1-(1,2-dihydroacenaphthylen-5-yl)-2,2,3,3,3-pentafluoropropan-1-ol
CID 114939506
5-(1-chloro-2,2,2-trifluoroethyl)-1,2-dihydroacenaphthylene
CID 114939619
(3-chlorophenyl)methanediol
CID 20679602
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
4-[chloro(1,2-dihydroacenaphthylen-5-yl)methyl]-2-methylfuran
CID 114939661
(3-chlorophenyl)-(1-hydroxy-3H-2,1-benzoxaborol-6-yl)methanol
CID 162648491

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The IUPAC name of (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol (CID 91678718) is (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol.
What is the SMILES notation for (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The canonical SMILES for (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol is OC(c1cccc(Cl)c1)c1ccc2c3c(cccc13)CC2.
What is the InChIKey of (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
The InChIKey is RRDOLZVFJSYPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClO/c20-15-5-1-4-14(11-15)19(21)17-10-9-13-8-7-12-3-2-6-16(17)18(12)13/h1-6,9-11,19,21H,7-8H2.
What are the key properties of (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol?
(3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol has a molecular weight of 294.78 g/mol, XLogP of 4.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(1,2-dihydroacenaphthylen-5-yl)methanol is sourced from PubChem (CID 91678718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).